Details of the Target

General Information of Target

Target ID	LDTP04051
Target Name	Nicotinamide phosphoribosyltransferase (NAMPT)
Gene Name	NAMPT
Gene ID	10135
Synonyms	PBEF; PBEF1; Nicotinamide phosphoribosyltransferase; NAmPRTase; Nampt; EC 2.4.2.12; Pre-B-cell colony-enhancing factor 1; Pre-B cell-enhancing factor; Visfatin
3D Structure	Download 2D Sequence (FASTA) Download 3D Structure (PDB) Download
Sequence	MNPAAEAEFNILLATDSYKVTHYKQYPPNTSKVYSYFECREKKTENSKLRKVKYEETVFY GLQYILNKYLKGKVVTKEKIQEAKDVYKEHFQDDVFNEKGWNYILEKYDGHLPIEIKAVP EGFVIPRGNVLFTVENTDPECYWLTNWIETILVQSWYPITVATNSREQKKILAKYLLETS GNLDGLEYKLHDFGYRGVSSQETAGIGASAHLVNFKGTDTVAGLALIKKYYGTKDPVPGY SVPAAEHSTITAWGKDHEKDAFEHIVTQFSSVPVSVVSDSYDIYNACEKIWGEDLRHLIV SRSTQAPLIIRPDSGNPLDTVLKVLEILGKKFPVTENSKGYKLLPPYLRVIQGDGVDINT LQEIVEGMKQKMWSIENIAFGSGGGLLQKLTRDLLNCSFKCSYVVTNGLGINVFKDPVAD PNKRSKKGRLSLHRTPAGNFVTLEEGKGDLEEYGQDLLHTVFKNGKVTKSYSFDEIRKNA QLNIELEAAHH
Target Type	Clinical trial
Target Bioclass	Enzyme
Family	NAPRTase family
Subcellular location	Nucleus
Function	Catalyzes the condensation of nicotinamide with 5-phosphoribosyl-1-pyrophosphate to yield nicotinamide mononucleotide, an intermediate in the biosynthesis of NAD. It is the rate limiting component in the mammalian NAD biosynthesis pathway. The secreted form behaves both as a cytokine with immunomodulating properties and an adipokine with anti-diabetic properties, it has no enzymatic activity, partly because of lack of activation by ATP, which has a low level in extracellular space and plasma. Plays a role in the modulation of circadian clock function. NAMPT-dependent oscillatory production of NAD regulates oscillation of clock target gene expression by releasing the core clock component: CLOCK-BMAL1 heterodimer from NAD-dependent SIRT1-mediated suppression.
TTD ID	T54582
Uniprot ID	P43490
DrugMap ID	TTD1WIG
Ensemble ID	ENST00000222553.8
HGNC ID	HGNC:30092
ChEMBL ID	CHEMBL1744525

Probe(s) Labeling This Target

ABPP Probe

Click To Hide/Show 31 Probe Related to This Target

Probe name	Binding Site(Ratio)	Interaction ID	Ref
m-APA Probe Info	12.12	LDD0402	[1]
AZ-9 Probe Info	4.19	LDD0393	[2]
CY4 Probe Info	2.32	LDD0244	[3]
N1 Probe Info	3.52	LDD0242	[3]
TH211 Probe Info	Y471(11.81); Y108(9.07)	LDD0260	[4]
TH216 Probe Info	Y188(19.73)	LDD0259	[4]
ONAyne Probe Info	K423(5.26)	LDD0274	[5]
Probe 1 Probe Info	Y26(52.85); Y195(17.29); Y471(46.47)	LDD3495	[6]
JZ128-DTB Probe Info	N.A.	LDD0462	[7]
BTD Probe Info	C397(1.33)	LDD2089	[8]
HHS-482 Probe Info	Y471(1.75)	LDD0285	[9]
HHS-475 Probe Info	Y188(0.87); Y453(1.08); Y284(1.14)	LDD0264	[10]
HHS-465 Probe Info	Y195(10.00)	LDD2237	[11]
DBIA Probe Info	C401(1.25); C39(1.06); C287(0.99)	LDD0078	[12]
ATP probe Probe Info	K339(0.00); K342(0.00); K174(0.00); K469(0.00)	LDD0199	[13]
4-Iodoacetamidophenylacetylene Probe Info	C401(0.00); C287(0.00); C397(0.00); C39(0.00)	LDD0038	[14]
IA-alkyne Probe Info	C39(0.00); C401(0.00)	LDD0032	[15]
Lodoacetamide azide Probe Info	C401(0.00); C287(0.00); C397(0.00); C39(0.00)	LDD0037	[14]
ATP probe Probe Info	K469(0.00); K423(0.00); K32(0.00); K415(0.00)	LDD0035	[16]
NAIA_4 Probe Info	C39(0.00); C287(0.00)	LDD2226	[17]
IPM Probe Info	N.A.	LDD0005	[18]
SF Probe Info	Y188(0.00); K189(0.00)	LDD0028	[19]
STPyne Probe Info	N.A.	LDD0009	[18]
TFBX Probe Info	N.A.	LDD0148	[20]
Phosphinate-6 Probe Info	N.A.	LDD0018	[21]
1c-yne Probe Info	K371(0.00); K19(0.00)	LDD0228	[22]
Acrolein Probe Info	C39(0.00); C397(0.00); H90(0.00); H491(0.00)	LDD0217	[23]
Crotonaldehyde Probe Info	N.A.	LDD0219	[23]
Methacrolein Probe Info	N.A.	LDD0218	[23]
AOyne Probe Info	7.00	LDD0443	[24]
NAIA_5 Probe Info	C401(0.00); C397(0.00); C141(0.00); C39(0.00)	LDD2223	[17]

PAL-AfBPP Probe

Click To Hide/Show 139 Probe Related to This Target

Probe name	Binding Site(Ratio)	Interaction ID	Ref
PARPYnD Probe Info	2.63	LDD0374	[25]
C001 Probe Info	12.82	LDD1711	[26]
C004 Probe Info	14.83	LDD1714	[26]
C026 Probe Info	11.96	LDD1732	[26]
C039 Probe Info	6.06	LDD1739	[26]
C040 Probe Info	13.55	LDD1740	[26]
C049 Probe Info	5.35	LDD1747	[26]
C053 Probe Info	6.50	LDD1751	[26]
C056 Probe Info	17.39	LDD1753	[26]
C063 Probe Info	14.12	LDD1760	[26]
C081 Probe Info	24.25	LDD1773	[26]
C082 Probe Info	9.25	LDD1774	[26]
C085 Probe Info	9.06	LDD1777	[26]
C088 Probe Info	6.15	LDD1780	[26]
C089 Probe Info	25.99	LDD1781	[26]
C091 Probe Info	20.11	LDD1782	[26]
C092 Probe Info	21.86	LDD1783	[26]
C106 Probe Info	16.80	LDD1793	[26]
C107 Probe Info	7.16	LDD1794	[26]
C130 Probe Info	7.94	LDD1812	[26]
C132 Probe Info	5.39	LDD1814	[26]
C134 Probe Info	27.86	LDD1816	[26]
C139 Probe Info	13.83	LDD1821	[26]
C140 Probe Info	28.05	LDD1822	[26]
C143 Probe Info	30.06	LDD1825	[26]
C145 Probe Info	11.08	LDD1827	[26]
C147 Probe Info	12.91	LDD1829	[26]
C153 Probe Info	28.64	LDD1834	[26]
C159 Probe Info	8.63	LDD1839	[26]
C160 Probe Info	10.20	LDD1840	[26]
C161 Probe Info	20.97	LDD1841	[26]
C163 Probe Info	7.73	LDD1843	[26]
C165 Probe Info	76.11	LDD1845	[26]
C167 Probe Info	8.17	LDD1847	[26]
C169 Probe Info	20.82	LDD1849	[26]
C173 Probe Info	19.43	LDD1853	[26]
C174 Probe Info	5.39	LDD1854	[26]
C177 Probe Info	8.34	LDD1856	[26]
C178 Probe Info	23.10	LDD1857	[26]
C183 Probe Info	6.23	LDD1861	[26]
C185 Probe Info	5.50	LDD1863	[26]
C186 Probe Info	67.18	LDD1864	[26]
C191 Probe Info	38.32	LDD1868	[26]
C195 Probe Info	7.21	LDD1871	[26]
C196 Probe Info	17.39	LDD1872	[26]
C197 Probe Info	11.71	LDD1873	[26]
C198 Probe Info	21.26	LDD1874	[26]
C204 Probe Info	20.25	LDD1879	[26]
C206 Probe Info	23.10	LDD1881	[26]
C211 Probe Info	78.79	LDD1885	[26]
C213 Probe Info	39.40	LDD1887	[26]
C218 Probe Info	23.92	LDD1892	[26]
C219 Probe Info	32.00	LDD1893	[26]
C220 Probe Info	68.59	LDD1894	[26]
C225 Probe Info	10.13	LDD1898	[26]
C226 Probe Info	8.22	LDD1899	[26]
C228 Probe Info	48.50	LDD1901	[26]
C231 Probe Info	34.54	LDD1904	[26]
C233 Probe Info	20.53	LDD1906	[26]
C235 Probe Info	27.47	LDD1908	[26]
C238 Probe Info	16.91	LDD1911	[26]
C240 Probe Info	8.51	LDD1913	[26]
C242 Probe Info	5.86	LDD1915	[26]
C243 Probe Info	15.89	LDD1916	[26]
C245 Probe Info	8.88	LDD1918	[26]
C246 Probe Info	41.64	LDD1919	[26]
C249 Probe Info	12.55	LDD1922	[26]
C252 Probe Info	28.05	LDD1925	[26]
C258 Probe Info	9.32	LDD1931	[26]
C264 Probe Info	32.00	LDD1935	[26]
C265 Probe Info	68.12	LDD1936	[26]
C270 Probe Info	11.24	LDD1940	[26]
C271 Probe Info	9.25	LDD1941	[26]
C274 Probe Info	6.82	LDD1944	[26]
C277 Probe Info	9.78	LDD1947	[26]
C284 Probe Info	47.50	LDD1954	[26]
C286 Probe Info	16.45	LDD1956	[26]
C287 Probe Info	13.83	LDD1957	[26]
C288 Probe Info	10.78	LDD1958	[26]
C289 Probe Info	30.06	LDD1959	[26]
C290 Probe Info	40.50	LDD1960	[26]
C303 Probe Info	18.00	LDD1972	[26]
C305 Probe Info	19.43	LDD1974	[26]
C307 Probe Info	6.45	LDD1975	[26]
C310 Probe Info	11.16	LDD1977	[26]
C311 Probe Info	14.52	LDD1978	[26]
C314 Probe Info	15.78	LDD1981	[26]
C322 Probe Info	10.78	LDD1988	[26]
C328 Probe Info	5.78	LDD1992	[26]
C337 Probe Info	14.52	LDD2000	[26]
C338 Probe Info	14.62	LDD2001	[26]
C342 Probe Info	21.41	LDD2004	[26]
C343 Probe Info	18.90	LDD2005	[26]
C348 Probe Info	11.39	LDD2009	[26]
C349 Probe Info	31.34	LDD2010	[26]
C353 Probe Info	5.82	LDD2014	[26]
C355 Probe Info	34.54	LDD2016	[26]
C356 Probe Info	20.82	LDD2017	[26]
C357 Probe Info	5.24	LDD2018	[26]
C359 Probe Info	7.06	LDD2020	[26]
C363 Probe Info	15.67	LDD2024	[26]
C365 Probe Info	4.96	LDD2026	[26]
C367 Probe Info	8.46	LDD2028	[26]
C374 Probe Info	5.24	LDD2034	[26]
C378 Probe Info	8.82	LDD2037	[26]
C380 Probe Info	8.75	LDD2039	[26]
C386 Probe Info	8.82	LDD2045	[26]
C390 Probe Info	30.48	LDD2049	[26]
C399 Probe Info	66.72	LDD2058	[26]
C409 Probe Info	20.53	LDD2066	[26]
C424 Probe Info	10.13	LDD2079	[26]
C426 Probe Info	13.93	LDD2081	[26]
C428 Probe Info	5.50	LDD2083	[26]
C430 Probe Info	9.92	LDD2085	[26]
C431 Probe Info	15.35	LDD2086	[26]
FFF probe11 Probe Info	20.00	LDD0471	[27]
FFF probe13 Probe Info	20.00	LDD0475	[27]
FFF probe14 Probe Info	20.00	LDD0477	[27]
FFF probe15 Probe Info	14.16	LDD0478	[27]
FFF probe2 Probe Info	20.00	LDD0463	[27]
FFF probe3 Probe Info	20.00	LDD0464	[27]
FFF probe4 Probe Info	12.68	LDD0466	[27]
FFF probe6 Probe Info	20.00	LDD0467	[27]
FFF probe7 Probe Info	20.00	LDD0483	[27]
JN0003 Probe Info	20.00	LDD0469	[27]
STS-1 Probe Info	N.A.	LDD0136	[28]
STS-2 Probe Info	14.83	LDD0138	[28]
VE-P Probe Info	N.A.	LDD0396	[29]
A-DA Probe Info	10.58	LDD0142	[30]
AEA-DA Probe Info	20.00	LDD0146	[30]
Kambe_22 Probe Info	5.84	LDD0132	[31]
Kambe_24 Probe Info	2.98	LDD0133	[31]
Kambe_3 Probe Info	2.18	LDD0130	[31]
Kambe_31 Probe Info	2.15	LDD0135	[31]
Kambe_8 Probe Info	2.15	LDD0131	[31]
Staurosporine capture compound Probe Info	3.50	LDD0083	[32]
BD-F Probe Info	E187(0.00); Y188(0.00)	LDD0024	[33]
DA-2 Probe Info	N.A.	LDD0070	[34]
OEA-DA Probe Info	13.26	LDD0046	[35]

Competitor(s) Related to This Target

Competitor ID	Name	Cell line	Binding Site(Ratio)	Interaction ID	Ref
LDCM0548	1-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-nitroethan-1-one	MDA-MB-231	C397(0.66)	LDD2142	[8]
LDCM0519	1-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-nitroethan-1-one	MDA-MB-231	C397(0.73)	LDD2112	[8]
LDCM0537	2-Cyano-N,N-dimethylacetamide	MDA-MB-231	C397(1.48)	LDD2130	[8]
LDCM0539	3-(4-Isopropylpiperazin-1-yl)-3-oxopropanenitrile	MDA-MB-231	C397(1.10)	LDD2132	[8]
LDCM0538	4-(Cyanoacetyl)morpholine	MDA-MB-231	C397(1.60)	LDD2131	[8]
LDCM0214	AC1	HCT 116	C39(1.14); C397(1.19); C401(0.98)	LDD0531	[12]
LDCM0215	AC10	HCT 116	C39(0.90); C397(0.85); C401(1.28)	LDD0532	[12]
LDCM0216	AC100	HCT 116	C39(2.50); C401(1.11)	LDD0533	[12]
LDCM0217	AC101	HCT 116	C39(0.93); C401(1.02)	LDD0534	[12]
LDCM0218	AC102	HCT 116	C39(0.87); C401(1.08)	LDD0535	[12]
LDCM0219	AC103	HCT 116	C39(0.94); C401(1.13)	LDD0536	[12]
LDCM0220	AC104	HCT 116	C39(0.95); C401(1.22)	LDD0537	[12]
LDCM0221	AC105	HCT 116	C39(0.96); C401(1.19)	LDD0538	[12]
LDCM0222	AC106	HCT 116	C39(0.96); C401(1.15)	LDD0539	[12]
LDCM0223	AC107	HCT 116	C39(0.93); C401(1.02)	LDD0540	[12]
LDCM0224	AC108	HCT 116	C39(0.67); C401(0.82)	LDD0541	[12]
LDCM0225	AC109	HCT 116	C39(0.76); C401(0.77)	LDD0542	[12]
LDCM0226	AC11	HCT 116	C39(0.94); C397(0.83); C401(1.20)	LDD0543	[12]
LDCM0227	AC110	HCT 116	C39(0.70); C401(0.84)	LDD0544	[12]
LDCM0228	AC111	HCT 116	C39(0.69); C401(0.77)	LDD0545	[12]
LDCM0229	AC112	HCT 116	C39(0.76); C401(0.93)	LDD0546	[12]
LDCM0230	AC113	HCT 116	C39(0.95); C401(0.89)	LDD0547	[12]
LDCM0231	AC114	HCT 116	C39(0.98); C401(1.03)	LDD0548	[12]
LDCM0232	AC115	HCT 116	C39(0.99); C401(0.98)	LDD0549	[12]
LDCM0233	AC116	HCT 116	C39(0.98); C401(0.98)	LDD0550	[12]
LDCM0234	AC117	HCT 116	C39(1.00); C401(1.13)	LDD0551	[12]
LDCM0235	AC118	HCT 116	C39(1.08); C401(1.00)	LDD0552	[12]
LDCM0236	AC119	HCT 116	C39(1.07); C401(0.95)	LDD0553	[12]
LDCM0237	AC12	HCT 116	C39(1.07); C397(0.77); C401(1.42)	LDD0554	[12]
LDCM0238	AC120	HCT 116	C39(1.11); C401(0.91)	LDD0555	[12]
LDCM0239	AC121	HCT 116	C39(0.99); C401(1.12)	LDD0556	[12]
LDCM0240	AC122	HCT 116	C39(0.86); C401(0.94)	LDD0557	[12]
LDCM0241	AC123	HCT 116	C39(0.89); C401(1.27)	LDD0558	[12]
LDCM0242	AC124	HCT 116	C39(1.05); C401(1.06)	LDD0559	[12]
LDCM0243	AC125	HCT 116	C39(1.07); C401(1.00)	LDD0560	[12]
LDCM0244	AC126	HCT 116	C39(1.08); C401(0.99)	LDD0561	[12]
LDCM0245	AC127	HCT 116	C39(1.02); C401(1.00)	LDD0562	[12]
LDCM0246	AC128	HCT 116	C39(1.02); C397(0.85); C401(1.22)	LDD0563	[12]
LDCM0247	AC129	HCT 116	C39(1.18); C397(0.91); C401(1.13)	LDD0564	[12]
LDCM0249	AC130	HCT 116	C39(1.20); C397(1.15); C401(1.37)	LDD0566	[12]
LDCM0250	AC131	HCT 116	C39(0.99); C397(1.07); C401(1.17)	LDD0567	[12]
LDCM0251	AC132	HCT 116	C39(1.25); C397(1.28); C401(1.21)	LDD0568	[12]
LDCM0252	AC133	HCT 116	C39(1.22); C397(1.11); C401(1.34)	LDD0569	[12]
LDCM0253	AC134	HCT 116	C39(1.11); C397(1.23); C401(1.38)	LDD0570	[12]
LDCM0254	AC135	HCT 116	C39(1.02); C397(1.17); C401(0.96)	LDD0571	[12]
LDCM0255	AC136	HCT 116	C39(1.03); C397(0.74); C401(1.00)	LDD0572	[12]
LDCM0256	AC137	HCT 116	C39(1.00); C397(0.83); C401(0.87)	LDD0573	[12]
LDCM0257	AC138	HCT 116	C39(0.98); C397(0.83); C401(1.17)	LDD0574	[12]
LDCM0258	AC139	HCT 116	C39(1.30); C397(0.82); C401(0.99)	LDD0575	[12]
LDCM0259	AC14	HCT 116	C39(0.93); C397(1.05); C401(1.36)	LDD0576	[12]
LDCM0260	AC140	HCT 116	C39(1.18); C397(1.00); C401(1.08)	LDD0577	[12]
LDCM0261	AC141	HCT 116	C39(1.16); C397(1.09); C401(1.06)	LDD0578	[12]
LDCM0262	AC142	HCT 116	C39(1.03); C397(0.84); C401(0.86)	LDD0579	[12]
LDCM0263	AC143	HCT 116	C39(1.04); C401(1.13)	LDD0580	[12]
LDCM0264	AC144	HCT 116	C39(1.17); C401(1.30)	LDD0581	[12]
LDCM0265	AC145	HCT 116	C39(1.05); C401(1.26)	LDD0582	[12]
LDCM0266	AC146	HCT 116	C39(1.02); C401(1.21)	LDD0583	[12]
LDCM0267	AC147	HCT 116	C39(1.17); C401(1.28)	LDD0584	[12]
LDCM0268	AC148	HCT 116	C39(0.91); C401(1.97)	LDD0585	[12]
LDCM0269	AC149	HCT 116	C39(1.03); C401(1.39)	LDD0586	[12]
LDCM0270	AC15	HCT 116	C397(0.94); C39(1.06); C401(1.44)	LDD0587	[12]
LDCM0271	AC150	HCT 116	C401(1.06); C39(1.11)	LDD0588	[12]
LDCM0272	AC151	HCT 116	C39(1.00); C401(1.01)	LDD0589	[12]
LDCM0273	AC152	HCT 116	C39(1.18); C401(1.30)	LDD0590	[12]
LDCM0274	AC153	HCT 116	C39(0.91); C401(1.43)	LDD0591	[12]
LDCM0621	AC154	HCT 116	C39(1.02); C401(1.14)	LDD2158	[12]
LDCM0622	AC155	HCT 116	C39(1.19); C401(1.16)	LDD2159	[12]
LDCM0623	AC156	HCT 116	C39(1.01); C401(0.99)	LDD2160	[12]
LDCM0624	AC157	HCT 116	C39(0.86); C401(1.02)	LDD2161	[12]
LDCM0276	AC17	HCT 116	C39(0.80); C397(0.86); C401(1.07)	LDD0593	[12]
LDCM0277	AC18	HCT 116	C397(0.74); C39(0.81); C401(1.06)	LDD0594	[12]
LDCM0278	AC19	HCT 116	C39(0.71); C397(0.75); C401(1.01)	LDD0595	[12]
LDCM0279	AC2	HCT 116	C397(0.96); C401(1.01); C39(1.08)	LDD0596	[12]
LDCM0280	AC20	HCT 116	C397(0.71); C39(0.75); C401(0.94)	LDD0597	[12]
LDCM0281	AC21	HCT 116	C397(0.70); C39(0.80); C401(0.94)	LDD0598	[12]
LDCM0282	AC22	HCT 116	C39(0.76); C397(0.79); C401(0.90)	LDD0599	[12]
LDCM0283	AC23	HCT 116	C397(0.65); C39(0.68); C401(0.87)	LDD0600	[12]
LDCM0284	AC24	HCT 116	C397(0.77); C39(0.81); C401(0.95)	LDD0601	[12]
LDCM0285	AC25	HCT 116	C39(1.14); C401(1.36)	LDD0602	[12]
LDCM0286	AC26	HCT 116	C39(1.16); C401(1.52)	LDD0603	[12]
LDCM0287	AC27	HCT 116	C39(1.14); C401(1.20)	LDD0604	[12]
LDCM0288	AC28	HCT 116	C401(1.19); C39(1.22)	LDD0605	[12]
LDCM0289	AC29	HCT 116	C39(1.13); C401(1.22)	LDD0606	[12]
LDCM0290	AC3	HCT 116	C397(0.93); C401(0.97); C39(1.09)	LDD0607	[12]
LDCM0291	AC30	HCT 116	C39(1.20); C401(1.44)	LDD0608	[12]
LDCM0292	AC31	HCT 116	C39(1.06); C401(1.12)	LDD0609	[12]
LDCM0293	AC32	HCT 116	C39(1.21); C401(1.44)	LDD0610	[12]
LDCM0294	AC33	HCT 116	C39(1.16); C401(1.30)	LDD0611	[12]
LDCM0295	AC34	HCT 116	C39(1.23); C401(1.36)	LDD0612	[12]
LDCM0296	AC35	HCT 116	C401(0.75); C39(0.98)	LDD0613	[12]
LDCM0297	AC36	HCT 116	C401(0.73); C39(0.89)	LDD0614	[12]
LDCM0298	AC37	HCT 116	C401(0.73); C39(0.90)	LDD0615	[12]
LDCM0299	AC38	HCT 116	C401(0.74); C39(0.98)	LDD0616	[12]
LDCM0300	AC39	HCT 116	C401(0.72); C39(1.09)	LDD0617	[12]
LDCM0301	AC4	HCT 116	C397(1.00); C401(1.01); C39(1.09)	LDD0618	[12]
LDCM0302	AC40	HCT 116	C401(0.72); C39(1.03)	LDD0619	[12]
LDCM0303	AC41	HCT 116	C401(0.58); C39(0.91)	LDD0620	[12]
LDCM0304	AC42	HCT 116	C401(0.57); C39(0.94)	LDD0621	[12]
LDCM0305	AC43	HCT 116	C401(0.63); C39(1.04)	LDD0622	[12]
LDCM0306	AC44	HCT 116	C401(0.61); C39(0.88)	LDD0623	[12]
LDCM0307	AC45	HCT 116	C401(0.54); C39(0.95)	LDD0624	[12]
LDCM0308	AC46	HCT 116	C39(0.96); C401(0.98); C397(1.39)	LDD0625	[12]
LDCM0309	AC47	HCT 116	C397(0.85); C39(0.99); C401(1.02)	LDD0626	[12]
LDCM0310	AC48	HCT 116	C397(0.89); C401(0.94); C39(0.94)	LDD0627	[12]
LDCM0311	AC49	HCT 116	C397(0.72); C39(1.05); C401(1.18)	LDD0628	[12]
LDCM0312	AC5	HCT 116	C401(1.00); C39(1.05); C397(1.05)	LDD0629	[12]
LDCM0313	AC50	HCT 116	C397(0.92); C39(0.98); C401(1.17)	LDD0630	[12]
LDCM0314	AC51	HCT 116	C397(0.87); C401(0.88); C39(0.89)	LDD0631	[12]
LDCM0315	AC52	HCT 116	C397(0.88); C39(0.94); C401(0.98)	LDD0632	[12]
LDCM0316	AC53	HCT 116	C397(0.61); C39(0.99); C401(1.08)	LDD0633	[12]
LDCM0317	AC54	HCT 116	C397(0.78); C39(0.96); C401(1.17)	LDD0634	[12]
LDCM0318	AC55	HCT 116	C397(0.73); C39(0.99); C401(1.12)	LDD0635	[12]
LDCM0319	AC56	HCT 116	C39(0.55); C401(0.78); C397(0.84)	LDD0636	[12]
LDCM0320	AC57	HCT 116	C397(1.25); C401(1.64); C39(2.87)	LDD0637	[12]
LDCM0321	AC58	HCT 116	C397(1.29); C401(1.67); C39(2.16)	LDD0638	[12]
LDCM0322	AC59	HCT 116	C397(0.98); C39(1.52); C401(1.68)	LDD0639	[12]
LDCM0323	AC6	HCT 116	C39(1.09); C397(1.13); C401(1.40)	LDD0640	[12]
LDCM0324	AC60	HCT 116	C397(1.05); C39(1.41); C401(1.60)	LDD0641	[12]
LDCM0325	AC61	HCT 116	C397(1.32); C401(1.36); C39(2.57)	LDD0642	[12]
LDCM0326	AC62	HCT 116	C397(1.28); C39(1.41); C401(1.52)	LDD0643	[12]
LDCM0327	AC63	HCT 116	C397(1.16); C401(1.44); C39(1.60)	LDD0644	[12]
LDCM0328	AC64	HCT 116	C397(1.17); C39(1.42); C401(1.61)	LDD0645	[12]
LDCM0329	AC65	HCT 116	C397(1.38); C39(1.70); C401(1.86)	LDD0646	[12]
LDCM0330	AC66	HCT 116	C397(1.25); C39(1.39); C401(1.83)	LDD0647	[12]
LDCM0331	AC67	HCT 116	C39(0.92); C397(1.24); C401(1.53)	LDD0648	[12]
LDCM0332	AC68	HCT 116	C397(0.91); C401(1.01); C39(1.03)	LDD0649	[12]
LDCM0333	AC69	HCT 116	C397(0.78); C401(0.88); C39(0.90)	LDD0650	[12]
LDCM0334	AC7	HCT 116	C397(1.03); C39(1.03); C401(1.49)	LDD0651	[12]
LDCM0335	AC70	HCT 116	C401(1.07); C39(1.08); C397(1.17)	LDD0652	[12]
LDCM0336	AC71	HCT 116	C397(0.75); C401(0.86); C39(1.00)	LDD0653	[12]
LDCM0337	AC72	HCT 116	C39(1.05); C401(1.11); C397(1.20)	LDD0654	[12]
LDCM0338	AC73	HCT 116	C401(1.05); C39(1.18); C397(1.32)	LDD0655	[12]
LDCM0339	AC74	HCT 116	C397(0.97); C39(1.04); C401(1.17)	LDD0656	[12]
LDCM0340	AC75	HCT 116	C401(0.64); C397(0.86); C39(1.12)	LDD0657	[12]
LDCM0341	AC76	HCT 116	C397(0.72); C401(0.86); C39(1.01)	LDD0658	[12]
LDCM0342	AC77	HCT 116	C397(0.77); C401(0.92); C39(1.00)	LDD0659	[12]
LDCM0343	AC78	HCT 116	C401(0.81); C397(0.84); C39(1.03)	LDD0660	[12]
LDCM0344	AC79	HCT 116	C397(0.76); C401(0.85); C39(1.00)	LDD0661	[12]
LDCM0345	AC8	HCT 116	C397(1.01); C39(1.06); C401(1.36)	LDD0662	[12]
LDCM0346	AC80	HCT 116	C397(0.73); C401(0.96); C39(1.04)	LDD0663	[12]
LDCM0347	AC81	HCT 116	C397(0.73); C401(0.81); C39(0.95)	LDD0664	[12]
LDCM0348	AC82	HCT 116	C401(0.36); C397(0.76); C39(0.98)	LDD0665	[12]
LDCM0349	AC83	HCT 116	C397(1.04); C39(1.06); C401(1.51)	LDD0666	[12]
LDCM0350	AC84	HCT 116	C39(1.09); C397(1.17); C401(1.46)	LDD0667	[12]
LDCM0351	AC85	HCT 116	C397(1.07); C39(1.32); C401(1.45)	LDD0668	[12]
LDCM0352	AC86	HCT 116	C39(1.07); C401(1.20); C397(1.37)	LDD0669	[12]
LDCM0353	AC87	HCT 116	C401(1.01); C397(1.15); C39(1.25)	LDD0670	[12]
LDCM0354	AC88	HCT 116	C401(1.07); C397(1.16); C39(1.30)	LDD0671	[12]
LDCM0355	AC89	HCT 116	C39(1.04); C401(1.20); C397(1.52)	LDD0672	[12]
LDCM0357	AC90	HCT 116	C401(0.95); C39(1.06); C397(1.77)	LDD0674	[12]
LDCM0358	AC91	HCT 116	C397(1.17); C401(1.19); C39(1.20)	LDD0675	[12]
LDCM0359	AC92	HCT 116	C39(1.11); C401(1.15); C397(1.45)	LDD0676	[12]
LDCM0360	AC93	HCT 116	C401(1.11); C39(1.12); C397(1.38)	LDD0677	[12]
LDCM0361	AC94	HCT 116	C39(0.95); C401(1.15); C397(1.57)	LDD0678	[12]
LDCM0362	AC95	HCT 116	C39(1.03); C401(1.14); C397(1.35)	LDD0679	[12]
LDCM0363	AC96	HCT 116	C39(0.90); C401(1.16); C397(1.47)	LDD0680	[12]
LDCM0364	AC97	HCT 116	C39(1.06); C401(1.10); C397(1.54)	LDD0681	[12]
LDCM0365	AC98	HCT 116	C39(0.35); C401(0.70)	LDD0682	[12]
LDCM0366	AC99	HCT 116	C39(0.94); C401(0.94)	LDD0683	[12]
LDCM0545	Acetamide	MDA-MB-231	C397(0.95)	LDD2138	[8]
LDCM0248	AKOS034007472	HCT 116	C39(0.90); C397(0.86); C401(1.49)	LDD0565	[12]
LDCM0356	AKOS034007680	HCT 116	C397(0.81); C39(0.89); C401(1.50)	LDD0673	[12]
LDCM0275	AKOS034007705	HCT 116	C397(1.00); C39(1.11); C401(2.93)	LDD0592	[12]
LDCM0156	Aniline	NCI-H1299	9.07	LDD0403	[1]
LDCM0020	ARS-1620	HCC44	C401(1.25); C39(1.06); C287(0.99)	LDD0078	[12]
LDCM0147	AZ0108	MDA-MB-468	1.73	LDD0376	[25]
LDCM0498	BS-3668	MDA-MB-231	C397(1.25)	LDD2091	[8]
LDCM0108	Chloroacetamide	HeLa	C39(0.00); H90(0.00); H491(0.00); C397(0.00)	LDD0222	[23]
LDCM0632	CL-Sc	Hep-G2	C39(20.00); C397(1.08); C401(0.86)	LDD2227	[17]
LDCM0367	CL1	HCT 116	C397(0.78); C401(0.79); C39(0.96)	LDD0684	[12]
LDCM0368	CL10	HCT 116	C401(1.10); C397(1.25); C39(1.34)	LDD0685	[12]
LDCM0369	CL100	HCT 116	C401(0.97); C39(1.06); C397(1.20)	LDD0686	[12]
LDCM0370	CL101	HCT 116	C39(0.90); C397(1.00); C401(2.05)	LDD0687	[12]
LDCM0371	CL102	HCT 116	C397(0.74); C39(0.88); C401(1.24)	LDD0688	[12]
LDCM0372	CL103	HCT 116	C397(0.78); C39(1.00); C401(1.14)	LDD0689	[12]
LDCM0373	CL104	HCT 116	C397(0.82); C39(1.00); C401(1.44)	LDD0690	[12]
LDCM0374	CL105	HCT 116	C39(0.73); C397(0.73); C401(1.04)	LDD0691	[12]
LDCM0375	CL106	HCT 116	C397(0.68); C39(0.80); C401(1.16)	LDD0692	[12]
LDCM0376	CL107	HCT 116	C397(0.75); C39(0.84); C401(1.10)	LDD0693	[12]
LDCM0377	CL108	HCT 116	C397(0.84); C39(0.94); C401(1.27)	LDD0694	[12]
LDCM0378	CL109	HCT 116	C397(0.68); C39(0.70); C401(0.93)	LDD0695	[12]
LDCM0379	CL11	HCT 116	C397(1.07); C401(1.13); C39(1.19)	LDD0696	[12]
LDCM0380	CL110	HCT 116	C39(0.71); C397(0.75); C401(0.95)	LDD0697	[12]
LDCM0381	CL111	HCT 116	C397(0.76); C39(0.78); C401(0.95)	LDD0698	[12]
LDCM0382	CL112	HCT 116	C39(1.08); C401(1.19)	LDD0699	[12]
LDCM0383	CL113	HCT 116	C39(1.22); C401(1.35)	LDD0700	[12]
LDCM0384	CL114	HCT 116	C39(1.08); C401(1.24)	LDD0701	[12]
LDCM0385	CL115	HCT 116	C39(1.10); C401(1.31)	LDD0702	[12]
LDCM0386	CL116	HCT 116	C39(1.18); C401(1.20)	LDD0703	[12]
LDCM0387	CL117	HCT 116	C401(0.70); C39(0.94)	LDD0704	[12]
LDCM0388	CL118	HCT 116	C401(0.67); C39(0.91)	LDD0705	[12]
LDCM0389	CL119	HCT 116	C401(0.63); C39(0.98)	LDD0706	[12]
LDCM0390	CL12	HCT 116	C39(1.20); C397(1.25); C401(1.31)	LDD0707	[12]
LDCM0391	CL120	HCT 116	C401(0.61); C39(0.90)	LDD0708	[12]
LDCM0392	CL121	HCT 116	C39(0.86); C397(1.01); C401(1.27)	LDD0709	[12]
LDCM0393	CL122	HCT 116	C397(0.95); C39(0.96); C401(1.02)	LDD0710	[12]
LDCM0394	CL123	HCT 116	C397(0.88); C39(1.10); C401(1.17)	LDD0711	[12]
LDCM0395	CL124	HCT 116	C397(0.84); C39(1.03); C401(1.04)	LDD0712	[12]
LDCM0396	CL125	HCT 116	C397(1.35); C401(1.46); C39(1.97)	LDD0713	[12]
LDCM0397	CL126	HCT 116	C401(1.43); C397(1.53); C39(1.60)	LDD0714	[12]
LDCM0398	CL127	HCT 116	C397(1.29); C39(1.39); C401(1.47)	LDD0715	[12]
LDCM0399	CL128	HCT 116	C397(1.26); C401(1.68); C39(2.44)	LDD0716	[12]
LDCM0400	CL13	HCT 116	C397(1.13); C39(1.14); C401(1.15)	LDD0717	[12]
LDCM0401	CL14	HCT 116	C401(0.94); C39(1.18); C397(1.19)	LDD0718	[12]
LDCM0402	CL15	HCT 116	C39(0.91); C397(1.01); C401(1.20)	LDD0719	[12]
LDCM0403	CL16	HCT 116	C39(0.99); C401(1.17)	LDD0720	[12]
LDCM0404	CL17	HCT 116	C39(1.02); C401(1.06)	LDD0721	[12]
LDCM0405	CL18	HCT 116	C39(1.08); C401(1.17)	LDD0722	[12]
LDCM0406	CL19	HCT 116	C39(1.03); C401(1.11)	LDD0723	[12]
LDCM0407	CL2	HCT 116	C401(0.81); C397(0.91); C39(1.08)	LDD0724	[12]
LDCM0408	CL20	HCT 116	C39(1.07); C401(1.11)	LDD0725	[12]
LDCM0409	CL21	HCT 116	C39(1.04); C401(1.10)	LDD0726	[12]
LDCM0410	CL22	HCT 116	C39(0.83); C401(1.20)	LDD0727	[12]
LDCM0411	CL23	HCT 116	C401(1.17); C39(1.22)	LDD0728	[12]
LDCM0412	CL24	HCT 116	C39(1.18); C401(1.21)	LDD0729	[12]
LDCM0413	CL25	HCT 116	C39(1.15); C401(1.06)	LDD0730	[12]
LDCM0414	CL26	HCT 116	C39(1.03); C401(1.32)	LDD0731	[12]
LDCM0415	CL27	HCT 116	C39(1.15); C401(1.18)	LDD0732	[12]
LDCM0416	CL28	HCT 116	C39(1.13); C401(1.20)	LDD0733	[12]
LDCM0417	CL29	HCT 116	C39(1.20); C401(1.08)	LDD0734	[12]
LDCM0418	CL3	HCT 116	C39(1.01); C397(0.73); C401(0.87)	LDD0735	[12]
LDCM0419	CL30	HCT 116	C39(1.12); C401(1.51)	LDD0736	[12]
LDCM0420	CL31	HCT 116	C39(0.88); C397(0.87); C401(1.01)	LDD0737	[12]
LDCM0421	CL32	HCT 116	C39(0.87); C397(0.94); C401(1.17)	LDD0738	[12]
LDCM0422	CL33	HCT 116	C39(0.81); C397(1.00); C401(1.01)	LDD0739	[12]
LDCM0423	CL34	HCT 116	C39(0.89); C397(1.09); C401(1.22)	LDD0740	[12]
LDCM0424	CL35	HCT 116	C39(0.91); C397(1.11); C401(1.48)	LDD0741	[12]
LDCM0425	CL36	HCT 116	C39(0.95); C397(1.07); C401(1.21)	LDD0742	[12]
LDCM0426	CL37	HCT 116	C39(0.94); C397(1.06); C401(1.37)	LDD0743	[12]
LDCM0428	CL39	HCT 116	C39(1.01); C397(0.97); C401(1.09)	LDD0745	[12]
LDCM0429	CL4	HCT 116	C39(0.94); C397(0.61); C401(1.04)	LDD0746	[12]
LDCM0430	CL40	HCT 116	C39(0.80); C397(0.91); C401(1.37)	LDD0747	[12]
LDCM0431	CL41	HCT 116	C39(0.92); C397(0.88); C401(1.20)	LDD0748	[12]
LDCM0432	CL42	HCT 116	C39(0.67); C397(0.95); C401(1.18)	LDD0749	[12]
LDCM0433	CL43	HCT 116	C39(0.98); C397(0.99); C401(1.45)	LDD0750	[12]
LDCM0434	CL44	HCT 116	C39(0.93); C397(1.11); C401(1.29)	LDD0751	[12]
LDCM0435	CL45	HCT 116	C39(0.89); C397(0.98); C401(1.18)	LDD0752	[12]
LDCM0436	CL46	HCT 116	C39(0.79); C397(1.05); C401(0.78)	LDD0753	[12]
LDCM0437	CL47	HCT 116	C39(0.78); C397(0.96); C401(0.79)	LDD0754	[12]
LDCM0438	CL48	HCT 116	C39(0.84); C397(0.97); C401(0.79)	LDD0755	[12]
LDCM0439	CL49	HCT 116	C39(0.94); C397(1.04); C401(0.91)	LDD0756	[12]
LDCM0440	CL5	HCT 116	C39(1.13); C397(0.80); C401(0.87)	LDD0757	[12]
LDCM0441	CL50	HCT 116	C39(0.82); C397(1.00); C401(0.80)	LDD0758	[12]
LDCM0442	CL51	HCT 116	C39(0.82); C397(0.93); C401(0.84)	LDD0759	[12]
LDCM0443	CL52	HCT 116	C39(0.82); C397(0.87); C401(0.77)	LDD0760	[12]
LDCM0444	CL53	HCT 116	C39(0.80); C397(1.06); C401(0.78)	LDD0761	[12]
LDCM0445	CL54	HCT 116	C39(0.78); C397(1.12); C401(0.74)	LDD0762	[12]
LDCM0446	CL55	HCT 116	C39(0.81); C397(0.94); C401(0.76)	LDD0763	[12]
LDCM0447	CL56	HCT 116	C39(0.86); C397(0.98); C401(0.80)	LDD0764	[12]
LDCM0448	CL57	HCT 116	C39(0.87); C397(0.96); C401(0.73)	LDD0765	[12]
LDCM0449	CL58	HCT 116	C39(0.80); C397(0.99); C401(0.79)	LDD0766	[12]
LDCM0450	CL59	HCT 116	C39(0.81); C397(1.07); C401(0.81)	LDD0767	[12]
LDCM0451	CL6	HCT 116	C39(1.00); C397(0.88); C401(0.87)	LDD0768	[12]
LDCM0452	CL60	HCT 116	C39(0.88); C397(1.10); C401(0.83)	LDD0769	[12]
LDCM0453	CL61	HCT 116	C39(1.03); C401(0.97)	LDD0770	[12]
LDCM0454	CL62	HCT 116	C39(0.92); C401(1.00)	LDD0771	[12]
LDCM0455	CL63	HCT 116	C39(0.97); C401(1.07)	LDD0772	[12]
LDCM0456	CL64	HCT 116	C39(0.98); C401(1.06)	LDD0773	[12]
LDCM0457	CL65	HCT 116	C39(1.09); C401(0.99)	LDD0774	[12]
LDCM0458	CL66	HCT 116	C39(1.21); C401(1.22)	LDD0775	[12]
LDCM0459	CL67	HCT 116	C39(1.26); C401(1.12)	LDD0776	[12]
LDCM0460	CL68	HCT 116	C39(1.04); C401(0.97)	LDD0777	[12]
LDCM0461	CL69	HCT 116	C39(0.83); C401(0.81)	LDD0778	[12]
LDCM0462	CL7	HCT 116	C39(1.08); C397(0.79); C401(1.20)	LDD0779	[12]
LDCM0463	CL70	HCT 116	C39(0.99); C401(1.00)	LDD0780	[12]
LDCM0464	CL71	HCT 116	C39(0.95); C401(0.93)	LDD0781	[12]
LDCM0465	CL72	HCT 116	C39(0.88); C401(0.83)	LDD0782	[12]
LDCM0466	CL73	HCT 116	C39(0.95); C401(0.89)	LDD0783	[12]
LDCM0467	CL74	HCT 116	C39(1.05); C401(0.95)	LDD0784	[12]
LDCM0469	CL76	HCT 116	C39(0.99); C401(1.26)	LDD0786	[12]
LDCM0470	CL77	HCT 116	C39(0.96); C401(1.27)	LDD0787	[12]
LDCM0471	CL78	HCT 116	C39(1.08); C401(1.37)	LDD0788	[12]
LDCM0472	CL79	HCT 116	C39(1.06); C401(1.16)	LDD0789	[12]
LDCM0473	CL8	HCT 116	C39(0.96); C397(0.83); C401(1.09)	LDD0790	[12]
LDCM0474	CL80	HCT 116	C39(1.11); C401(1.16)	LDD0791	[12]
LDCM0475	CL81	HCT 116	C39(1.09); C401(1.28)	LDD0792	[12]
LDCM0476	CL82	HCT 116	C39(1.05); C401(1.20)	LDD0793	[12]
LDCM0477	CL83	HCT 116	C39(0.96); C401(0.91)	LDD0794	[12]
LDCM0478	CL84	HCT 116	C39(0.98); C401(0.96)	LDD0795	[12]
LDCM0479	CL85	HCT 116	C39(0.96); C401(1.06)	LDD0796	[12]
LDCM0480	CL86	HCT 116	C39(1.02); C401(1.08)	LDD0797	[12]
LDCM0481	CL87	HCT 116	C39(1.13); C401(1.13)	LDD0798	[12]
LDCM0482	CL88	HCT 116	C39(1.07); C401(1.11)	LDD0799	[12]
LDCM0483	CL89	HCT 116	C39(1.07); C401(1.09)	LDD0800	[12]
LDCM0484	CL9	HCT 116	C39(1.40); C397(1.27); C401(1.13)	LDD0801	[12]
LDCM0485	CL90	HCT 116	C39(1.03); C401(1.06)	LDD0802	[12]
LDCM0486	CL91	HCT 116	C39(1.21); C397(1.00); C401(1.00)	LDD0803	[12]
LDCM0487	CL92	HCT 116	C39(1.07); C397(0.99); C401(0.91)	LDD0804	[12]
LDCM0488	CL93	HCT 116	C39(1.03); C397(0.99); C401(0.89)	LDD0805	[12]
LDCM0489	CL94	HCT 116	C39(1.15); C397(1.24); C401(0.99)	LDD0806	[12]
LDCM0490	CL95	HCT 116	C39(1.04); C397(1.01); C401(0.92)	LDD0807	[12]
LDCM0491	CL96	HCT 116	C39(1.06); C397(0.98); C401(0.95)	LDD0808	[12]
LDCM0492	CL97	HCT 116	C39(1.03); C397(1.20); C401(1.11)	LDD0809	[12]
LDCM0493	CL98	HCT 116	C39(1.12); C397(1.19); C401(0.98)	LDD0810	[12]
LDCM0494	CL99	HCT 116	C39(1.09); C397(1.11); C401(1.00)	LDD0811	[12]
LDCM0189	Compound 16	HEK-293T	25.97	LDD0492	[27]
LDCM0185	Compound 17	HEK-293T	5.97	LDD0504	[27]
LDCM0182	Compound 18	HEK-293T	7.94	LDD0501	[27]
LDCM0184	Compound 20	HEK-293T	8.51	LDD0503	[27]
LDCM0191	Compound 21	HEK-293T	11.05	LDD0493	[27]
LDCM0186	Compound 31	HEK-293T	4.51	LDD0506	[27]
LDCM0187	Compound 32	HEK-293T	15.63	LDD0507	[27]
LDCM0188	Compound 33	HEK-293T	4.51	LDD0505	[27]
LDCM0190	Compound 34	HEK-293T	15.38	LDD0497	[27]
LDCM0192	Compound 35	HEK-293T	5.68	LDD0491	[27]
LDCM0193	Compound 36	HEK-293T	8.89	LDD0494	[27]
LDCM0194	Compound 37	HEK-293T	7.43	LDD0498	[27]
LDCM0195	Compound 38	HEK-293T	3.88	LDD0499	[27]
LDCM0196	Compound 39	HEK-293T	11.63	LDD0496	[27]
LDCM0197	Compound 40	HEK-293T	10.00	LDD0495	[27]
LDCM0181	Compound 41	HEK-293T	7.27	LDD0502	[27]
LDCM0183	Compound 42	HEK-293T	5.48	LDD0500	[27]
LDCM0495	E2913	HEK-293T	C39(0.93); C401(0.86); C287(0.95)	LDD1698	[36]
LDCM0213	Electrophilic fragment 2	MDA-MB-231	C39(2.48); C397(1.96)	LDD1702	[8]
LDCM0625	F8	Ramos	C397(0.97); C39(1.05); C401(0.87)	LDD2187	[37]
LDCM0082	FK866	A-549	10.58	LDD0142	[30]
LDCM0572	Fragment10	Ramos	C397(0.80); C39(0.54)	LDD2189	[37]
LDCM0573	Fragment11	Ramos	C397(0.51); C39(0.38); C401(0.85)	LDD2190	[37]
LDCM0574	Fragment12	Ramos	C397(0.83); C39(0.67)	LDD2191	[37]
LDCM0575	Fragment13	Ramos	C397(1.06); C39(1.05)	LDD2192	[37]
LDCM0576	Fragment14	Ramos	C397(1.24); C39(1.03); C401(0.65)	LDD2193	[37]
LDCM0579	Fragment20	Ramos	C397(1.11); C39(0.52)	LDD2194	[37]
LDCM0580	Fragment21	Ramos	C397(1.09); C39(1.08)	LDD2195	[37]
LDCM0582	Fragment23	Ramos	C397(1.39); C39(1.35)	LDD2196	[37]
LDCM0578	Fragment27	Ramos	C397(0.85); C39(1.31)	LDD2197	[37]
LDCM0586	Fragment28	Ramos	C397(0.92); C39(1.34); C401(2.60)	LDD2198	[37]
LDCM0588	Fragment30	Ramos	C397(1.27); C39(1.28)	LDD2199	[37]
LDCM0589	Fragment31	Ramos	C397(1.24); C39(1.00)	LDD2200	[37]
LDCM0590	Fragment32	Ramos	C397(0.84); C39(0.67)	LDD2201	[37]
LDCM0468	Fragment33	HCT 116	C39(1.34); C401(1.14)	LDD0785	[12]
LDCM0596	Fragment38	Ramos	C397(0.99); C39(1.26)	LDD2203	[37]
LDCM0566	Fragment4	Ramos	C397(1.15); C39(1.89); C401(0.87)	LDD2184	[37]
LDCM0427	Fragment51	HCT 116	C39(0.70); C397(0.43); C401(1.33)	LDD0744	[12]
LDCM0610	Fragment52	Ramos	C397(1.08); C39(1.79)	LDD2204	[37]
LDCM0614	Fragment56	Ramos	C397(1.25); C39(1.45)	LDD2205	[37]
LDCM0569	Fragment7	Ramos	C397(0.96); C39(0.82); C401(1.56)	LDD2186	[37]
LDCM0571	Fragment9	Ramos	C397(0.96); C39(0.57)	LDD2188	[37]
LDCM0116	HHS-0101	DM93	Y188(0.87); Y453(1.08); Y284(1.14)	LDD0264	[10]
LDCM0117	HHS-0201	DM93	Y284(0.46); Y453(0.83); Y188(0.95)	LDD0265	[10]
LDCM0118	HHS-0301	DM93	Y284(0.56); Y453(0.90); Y188(1.45)	LDD0266	[10]
LDCM0119	HHS-0401	DM93	Y284(0.69); Y453(0.80); Y188(1.28)	LDD0267	[10]
LDCM0120	HHS-0701	DM93	Y453(0.99); Y284(1.10); Y188(8.87)	LDD0268	[10]
LDCM0107	IAA	HeLa	H491(0.00); H90(0.00); C39(0.00); H211(0.00)	LDD0221	[23]
LDCM0123	JWB131	DM93	Y471(1.75)	LDD0285	[9]
LDCM0125	JWB146	DM93	Y471(2.38)	LDD0287	[9]
LDCM0126	JWB150	DM93	Y471(10.70)	LDD0288	[9]
LDCM0127	JWB152	DM93	Y471(3.68)	LDD0289	[9]
LDCM0128	JWB198	DM93	Y471(2.25)	LDD0290	[9]
LDCM0130	JWB211	DM93	Y471(2.56)	LDD0292	[9]
LDCM0179	JZ128	PC-3	N.A.	LDD0462	[7]
LDCM0077	kambe_cp60	PC-3	2.98	LDD0133	[31]
LDCM0075	kambe_cp62	PC-3	2.15	LDD0131	[31]
LDCM0079	kambe_cp64	PC-3	2.15	LDD0135	[31]
LDCM0074	Kambe_cp66	PC-3	2.18	LDD0130	[31]
LDCM0076	kambe_cp71	PC-3	5.84	LDD0132	[31]
LDCM0022	KB02	HCT 116	C401(1.55); C397(1.87); C39(1.43)	LDD0080	[12]
LDCM0023	KB03	HCT 116	C401(2.59); C397(2.43); C39(1.29)	LDD0081	[12]
LDCM0024	KB05	HCT 116	C401(2.08); C397(1.74); C39(1.70)	LDD0082	[12]
LDCM0528	N-(4-bromophenyl)-2-cyano-N-phenylacetamide	MDA-MB-231	C397(1.04)	LDD2121	[8]
LDCM0109	NEM	HeLa	H211(0.00); H90(0.00); H111(0.00); H191(0.00)	LDD0223	[23]
LDCM0496	Nucleophilic fragment 11a	MDA-MB-231	C397(1.33)	LDD2089	[8]
LDCM0506	Nucleophilic fragment 16a	MDA-MB-231	C397(0.99)	LDD2099	[8]
LDCM0507	Nucleophilic fragment 16b	MDA-MB-231	C397(0.50)	LDD2100	[8]
LDCM0511	Nucleophilic fragment 18b	MDA-MB-231	C397(0.55)	LDD2104	[8]
LDCM0512	Nucleophilic fragment 19a	MDA-MB-231	C397(1.83)	LDD2105	[8]
LDCM0513	Nucleophilic fragment 19b	MDA-MB-231	C397(0.46)	LDD2106	[8]
LDCM0514	Nucleophilic fragment 20a	MDA-MB-231	C397(0.96)	LDD2107	[8]
LDCM0515	Nucleophilic fragment 20b	MDA-MB-231	C397(0.62)	LDD2108	[8]
LDCM0517	Nucleophilic fragment 21b	MDA-MB-231	C397(0.61)	LDD2110	[8]
LDCM0521	Nucleophilic fragment 23b	MDA-MB-231	C397(0.81)	LDD2114	[8]
LDCM0526	Nucleophilic fragment 26a	MDA-MB-231	C39(1.04)	LDD2119	[8]
LDCM0530	Nucleophilic fragment 28a	MDA-MB-231	C397(0.98)	LDD2123	[8]
LDCM0532	Nucleophilic fragment 29a	MDA-MB-231	C397(1.13)	LDD2125	[8]
LDCM0542	Nucleophilic fragment 37	MDA-MB-231	C39(2.97)	LDD2135	[8]
LDCM0543	Nucleophilic fragment 38	MDA-MB-231	C397(1.69)	LDD2136	[8]
LDCM0544	Nucleophilic fragment 39	MDA-MB-231	C39(0.96)	LDD2137	[8]
LDCM0547	Nucleophilic fragment 41	MDA-MB-231	C397(0.58)	LDD2141	[8]
LDCM0551	Nucleophilic fragment 5b	MDA-MB-231	C397(1.87)	LDD2145	[8]
LDCM0556	Nucleophilic fragment 8a	MDA-MB-231	C397(1.47)	LDD2150	[8]
LDCM0627	NUDT7-COV-1	HEK-293T	C397(2.85)	LDD2206	[38]
LDCM0148	Olaparib	MDA-MB-468	1.52	LDD0377	[25]
LDCM0628	OTUB2-COV-1	HEK-293T	C39(0.83)	LDD2207	[38]
LDCM0131	RA190	MM1.R	C397(1.17)	LDD0304	[39]
LDCM0084	Ro 48-8071	A-549	15.03	LDD0145	[30]
LDCM0019	Staurosporine	Hep-G2	3.50	LDD0083	[32]
LDCM0021	THZ1	HCT 116	C401(1.05); C397(1.08); C39(1.24)	LDD2173	[12]

The Interaction Atlas With This Target

The Protein(s) Related To This Target

Enzyme

Click To Hide/Show 2 Protein(s) Interacting with This Target

Protein name				Family	Uniprot ID
NADH-ubiquinone oxidoreductase chain 1 (MT-ND1)				Complex I subunit 1 family	P03886
Nicotinamide phosphoribosyltransferase (NAMPT)				NAPRTase family	P43490

Transporter and channel

Click To Hide/Show 1 Protein(s) Interacting with This Target

Protein name				Family	Uniprot ID
Interferon-induced transmembrane protein 3 (IFITM3)				CD225/Dispanin family	Q01628

Other

Click To Hide/Show 1 Protein(s) Interacting with This Target

Protein name				Family	Uniprot ID
Ferritin light chain (FTL)				Ferritin family	P02792

The Drug(s) Related To This Target

Phase 2

Click To Hide/Show 2 Drug(s) Interacting with This Target

Drug Name				Drug Type	External ID
Chs-828				Small molecular drug	D0Y1NC
Daporinad				Small molecular drug	D0H9SX

Phase 1

Click To Hide/Show 2 Drug(s) Interacting with This Target

Drug Name				Drug Type	External ID
Gmx1777				Small molecular drug	D0V7YA
Ot-82				Small molecular drug	DN6MT7

References

1	Quantitative and Site-Specific Chemoproteomic Profiling of Targets of Acrolein. Chem Res Toxicol. 2019 Mar 18;32(3):467-473. doi: 10.1021/acs.chemrestox.8b00343. Epub 2019 Jan 15.
2	2H-Azirine-Based Reagents for Chemoselective Bioconjugation at Carboxyl Residues Inside Live Cells. J Am Chem Soc. 2020 Apr 1;142(13):6051-6059. doi: 10.1021/jacs.9b12116. Epub 2020 Mar 23.
3	Cyclopropenone, Cyclopropeniminium Ion, and Cyclopropenethione as Novel Electrophilic Warheads for Potential Target Discovery of Triple-Negative Breast Cancer. J Med Chem. 2023 Feb 23;66(4):2851-2864. doi: 10.1021/acs.jmedchem.2c01889. Epub 2023 Feb 10.
4	Chemoproteomic profiling of kinases in live cells using electrophilic sulfonyl triazole probes. Chem Sci. 2021 Jan 21;12(9):3295-3307. doi: 10.1039/d0sc06623k.
5	A Paal-Knorr agent for chemoproteomic profiling of targets of isoketals in cells. Chem Sci. 2021 Oct 15;12(43):14557-14563. doi: 10.1039/d1sc02230j. eCollection 2021 Nov 10. Mass spectrometry data entry: PXD028270
6	An Azo Coupling-Based Chemoproteomic Approach to Systematically Profile the Tyrosine Reactivity in the Human Proteome. Anal Chem. 2021 Jul 27;93(29):10334-10342. doi: 10.1021/acs.analchem.1c01935. Epub 2021 Jul 12.
7	A Chemoproteomic Strategy for Direct and Proteome-Wide Covalent Inhibitor Target-Site Identification. J Am Chem Soc. 2019 Jan 9;141(1):191-203. doi: 10.1021/jacs.8b07911. Epub 2018 Dec 20.
8	Nucleophilic covalent ligand discovery for the cysteine redoxome. Nat Chem Biol. 2023 Nov;19(11):1309-1319. doi: 10.1038/s41589-023-01330-5. Epub 2023 May 29. Mass spectrometry data entry: PXD039908 , PXD029761
9	Chemoproteomic profiling of kinases in live cells using electrophilic sulfonyl triazole probes. Chem Sci. 2021 Jan 21;12(9):3295-3307. doi: 10.1039/d0sc06623k.
10	Discovery of a Cell-Active SuTEx Ligand of Prostaglandin Reductase 2. Chembiochem. 2021 Jun 15;22(12):2134-2139. doi: 10.1002/cbic.202000879. Epub 2021 Apr 29.
11	Global targeting of functional tyrosines using sulfur-triazole exchange chemistry. Nat Chem Biol. 2020 Feb;16(2):150-159. doi: 10.1038/s41589-019-0404-5. Epub 2019 Nov 25.
12	Reimagining high-throughput profiling of reactive cysteines for cell-based screening of large electrophile libraries. Nat Biotechnol. 2021 May;39(5):630-641. doi: 10.1038/s41587-020-00778-3. Epub 2021 Jan 4.
13	Targeted Proteomic Approaches for Proteome-Wide Characterizations of the AMP-Binding Capacities of Kinases. J Proteome Res. 2022 Aug 5;21(8):2063-2070. doi: 10.1021/acs.jproteome.2c00225. Epub 2022 Jul 12.
14	Enhancing Cysteine Chemoproteomic Coverage through Systematic Assessment of Click Chemistry Product Fragmentation. Anal Chem. 2022 Mar 8;94(9):3800-3810. doi: 10.1021/acs.analchem.1c04402. Epub 2022 Feb 23. Mass spectrometry data entry: PXD028853
15	SP3-FAIMS Chemoproteomics for High-Coverage Profiling of the Human Cysteinome. Chembiochem. 2021 May 14;22(10):1841-1851. doi: 10.1002/cbic.202000870. Epub 2021 Feb 18. Mass spectrometry data entry*: PXD023056 , PXD023059 , PXD023058 , PXD023057 , PXD023060
16	Comparison of Quantitative Mass Spectrometry Platforms for Monitoring Kinase ATP Probe Uptake in Lung Cancer. J Proteome Res. 2018 Jan 5;17(1):63-75. doi: 10.1021/acs.jproteome.7b00329. Epub 2017 Nov 22. Mass spectrometry data entry: PXD006095 , PXD006096
17	N-Acryloylindole-alkyne (NAIA) enables imaging and profiling new ligandable cysteines and oxidized thiols by chemoproteomics. Nat Commun. 2023 Jun 15;14(1):3564. doi: 10.1038/s41467-023-39268-w. Mass spectrometry data entry: PXD041264
18	A modification-centric assessment tool for the performance of chemoproteomic probes. Nat Chem Biol. 2022 Aug;18(8):904-912. doi: 10.1038/s41589-022-01074-8. Epub 2022 Jul 21. Mass spectrometry data entry: PXD027758 , PXD027755 , PXD027760 , PXD027762 , PXD027756 , PXD027591 , PXD007149 , PXD030064 , PXD032392 , PXD027789 , PXD027767 , PXD027764
19	Solid Phase Synthesis of Fluorosulfate Containing Macrocycles for Chemoproteomic Workflows. bioRxiv [Preprint]. 2023 Feb 18:2023.02.17.529022. doi: 10.1101/2023.02.17.529022. Mass spectrometry data entry: PXD039931
20	Chemoproteomic Profiling by Cysteine Fluoroalkylation Reveals Myrocin G as an Inhibitor of the Nonhomologous End Joining DNA Repair Pathway. J Am Chem Soc. 2021 Dec 8;143(48):20332-20342. doi: 10.1021/jacs.1c09724. Epub 2021 Nov 24. Mass spectrometry data entry: PXD029255
21	DFT-Guided Discovery of Ethynyl-Triazolyl-Phosphinates as Modular Electrophiles for Chemoselective Cysteine Bioconjugation and Profiling. Angew Chem Int Ed Engl. 2022 Oct 10;61(41):e202205348. doi: 10.1002/anie.202205348. Epub 2022 Aug 22. Mass spectrometry data entry: PXD033004
22	Tunable Amine-Reactive Electrophiles for Selective Profiling of Lysine. Angew Chem Int Ed Engl. 2022 Jan 26;61(5):e202112107. doi: 10.1002/anie.202112107. Epub 2021 Dec 16.
23	ACR-Based Probe for the Quantitative Profiling of Histidine Reactivity in the Human Proteome. J Am Chem Soc. 2023 Mar 8;145(9):5252-5260. doi: 10.1021/jacs.2c12653. Epub 2023 Feb 27.
24	Chemoproteomic profiling of targets of lipid-derived electrophiles by bioorthogonal aminooxy probe. Redox Biol. 2017 Aug;12:712-718. doi: 10.1016/j.redox.2017.04.001. Epub 2017 Apr 5.
25	Structure-Guided Design and In-Cell Target Profiling of a Cell-Active Target Engagement Probe for PARP Inhibitors. ACS Chem Biol. 2020 Feb 21;15(2):325-333. doi: 10.1021/acschembio.9b00963. Epub 2020 Feb 10.
26	Large-scale chemoproteomics expedites ligand discovery and predicts ligand behavior in cells. Science. 2024 Apr 26;384(6694):eadk5864. doi: 10.1126/science.adk5864. Epub 2024 Apr 26. Mass spectrometry data entry: PXD041587
27	Ligand and Target Discovery by Fragment-Based Screening in Human Cells. Cell. 2017 Jan 26;168(3):527-541.e29. doi: 10.1016/j.cell.2016.12.029. Epub 2017 Jan 19.
28	Design and synthesis of minimalist terminal alkyne-containing diazirine photo-crosslinkers and their incorporation into kinase inhibitors for cell- and tissue-based proteome profiling. Angew Chem Int Ed Engl. 2013 Aug 12;52(33):8551-6. doi: 10.1002/anie.201300683. Epub 2013 Jun 10.
29	Pharmacological Targeting of Vacuolar H(+)-ATPase via Subunit V1G Combats Multidrug-Resistant Cancer. Cell Chem Biol. 2020 Nov 19;27(11):1359-1370.e8. doi: 10.1016/j.chembiol.2020.06.011. Epub 2020 Jul 9.
30	A Global Map of Lipid-Binding Proteins and Their Ligandability in Cells. Cell. 2015 Jun 18;161(7):1668-80. doi: 10.1016/j.cell.2015.05.045.
31	Mapping the protein interaction landscape for fully functionalized small-molecule probes in human cells. J Am Chem Soc. 2014 Jul 30;136(30):10777-82. doi: 10.1021/ja505517t. Epub 2014 Jul 21.
32	Comprehensive identification of staurosporine-binding kinases in the hepatocyte cell line HepG2 using Capture Compound Mass Spectrometry (CCMS). J Proteome Res. 2010 Feb 5;9(2):806-17. doi: 10.1021/pr9007333.
33	Evaluation of fully-functionalized diazirine tags for chemical proteomic applications. Chem Sci. 2021 May 7;12(22):7839-7847. doi: 10.1039/d1sc01360b. Mass spectrometry data entry: PXD025652
34	Cell-based proteome profiling of potential dasatinib targets by use of affinity-based probes. J Am Chem Soc. 2012 Feb 15;134(6):3001-14. doi: 10.1021/ja208518u. Epub 2012 Feb 1.
35	Mapping Protein Targets of Bioactive Small Molecules Using Lipid-Based Chemical Proteomics. ACS Chem Biol. 2017 Oct 20;12(10):2671-2681. doi: 10.1021/acschembio.7b00581. Epub 2017 Sep 20. Mass spectrometry data entry: PXD007570
36	Accelerating multiplexed profiling of protein-ligand interactions: High-throughput plate-based reactive cysteine profiling with minimal input. Cell Chem Biol. 2024 Mar 21;31(3):565-576.e4. doi: 10.1016/j.chembiol.2023.11.015. Epub 2023 Dec 19. Mass spectrometry data entry: PXD044402
37	Site-specific quantitative cysteine profiling with data-independent acquisition-based mass spectrometry. Methods Enzymol. 2023;679:295-322. doi: 10.1016/bs.mie.2022.07.037. Epub 2022 Sep 7. Mass spectrometry data entry: PXD027578
38	Rapid Covalent-Probe Discovery by Electrophile-Fragment Screening. J Am Chem Soc. 2019 Jun 5;141(22):8951-8968. doi: 10.1021/jacs.9b02822. Epub 2019 May 22.
39	Physical and Functional Analysis of the Putative Rpn13 Inhibitor RA190. Cell Chem Biol. 2020 Nov 19;27(11):1371-1382.e6. doi: 10.1016/j.chembiol.2020.08.007. Epub 2020 Aug 27.

Details of the Target

Citation

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Correspondence

Prof. Feng Zhu

Prof. Feng Ni