Details of the Competitor

General Information of Competitor

Competitor ID
LDCM0097
Competitor Name
Dasatinib
Synonyms
Dasatinib; 302962-49-8; Sprycel; BMS-354825; Dasatinib anhydrous; BMS 354825; Dasatinib (anhydrous); BMS354825; dasatinibum; N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE; anh. dasatinib; N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)thiazole-5-carboxamide; N-(2-chloro-6-methylphenyl)-2-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)thiazole-5-carboxamide; anhydrous dasatinib; Dasatinib (BMS-354825); dasatinib (anh.); N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide; BMS Dasatinib; UNII-X78UG0A0RN; X78UG0A0RN; DTXSID4040979; CHEBI:49375; NSC732517; NSC-759877; CHEMBL1421; DTXCID2020979; BMS-354825 HYDRATE; BMS 345825; NSC-732517; 5-Thiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)-1-piperazinyl)-2-methyl-4-pyrimidinyl)amino)-; 5-Thiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-; NCGC00181129-01; BMS 35482513; BMS-354825-03; UNII-RBZ1571X5H; CHEBI:70839; C22H26ClN7O2S; DTXSID50235486; n-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)-1,3-thiazole-5-carboxamide; SMR002529551; CAS-302962-49-8; NSC 759877; 302962-49-8 pound not863127-77-9; Dasatinib [USAN:INN]; 1N1; Kinome_3650; Dasatinib (JAN/INN); DASATINIB [INN]; DASATINIB [MI]; Sprycel (Bristol Meyers); DASATINIB [WHO-DD]; SCHEMBL8226; Dasatinib,BMS-354825; MLS003915609; MLS004774145; MLS006010904; GTPL5678; BDBM13216; cid_3062316; Dasatinib (BMS-354825)?; DTXCID50157977; EX-A401; L01XE06; 5-Thiazolecarboxamide, monohydrate; BCPP000263; HMS2043N05; HMS3244A05; HMS3244A06; HMS3244B05; HMS3265C19; HMS3265C20; HMS3265D19; HMS3265D20; HMS3654K05; HMS3744C11; Pharmakon1600-01502275; BCP01797; Tox21_112736; MFCD11046566; NSC759877; NSC800087; s1021; AKOS015902363; Tox21_112736_1; BCP9000589; CCG-264779; CS-0100; DB01254; GS-6548; NSC-800087; SB17284; NCGC00181129-02; NCGC00181129-03; NCGC00181129-05; NCGC00181129-06; NCGC00181129-07; NCGC00181129-12; NCGC00181129-14; NCGC00181129-22; NCGC00481571-01; 2-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide; AC-22749; BCB03_000715; HY-10181; N-(2-chloro-6-methyl-phenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-pyrimidin-4-yl]amino]thiazole-5-carboxamide; AM20080877; D5949; NS00001968; PA-3062316; SW208076-5; D-3307; D03658; EN300-123025; AB01273956-01; AB01273956-02; AB01273956_03; AR-270/43507994; Q419940; SR-00000000554; Q-101345; SR-00000000554-5; BRD-K49328571-001-05-1; BRD-K49328571-001-07-7; Z1546610486; N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl}amino)-1,3-thiazole-5-carboxamide; N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl)]-2-methyl-4-pyrimidinyl]amino)]-1,3-thiazole-5-carboxamide
Structure
3D MOL 2D MOL
Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 488
Lipid-water partition coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C22H26ClN7O2S
IUPAC Name
N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
Canonical SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO
InChI
InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
InChIKey
ZBNZXTGUTAYRHI-UHFFFAOYSA-N

The Competitor Interaction Atlas

Probe(s) Related This Competitor

ABPP Probe
Click To Hide/Show 1 Probe Related to This Competitor
Probe Name Structure Concentration Cell-system Ref
Dasatinib-CA-4PAP
 Probe Info  		1 uM Human chronic myeloid leukemia cell lysate (K562) [1]
PAL-AfBPP Probe
Click To Hide/Show 2 Probe Related to This Competitor
Probe Name Structure Concentration Cell-system Ref
Dasatinib-CA-8PAP
 Probe Info  		1 uM Human chronic myeloid leukemia cell lysate (K562) [1]
Dasatinib-CA-3PAP
 Probe Info  		1 uM Human chronic myeloid leukemia cell lysate (K562) [1]

Target(s) List of this Competitor

35 Enzyme Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Adenosine kinase (ADK) LDTP04689 9.79  LDD0270 
AFG3-like protein 2 (AFG3L2) LDTP14075 6.00  LDD0364 
Amidophosphoribosyltransferase (PPAT) LDTP05480 6.00  LDD0270 
ATPase family AAA domain-containing protein 3A (ATAD3A) LDTP12681 4.33  LDD0365 
Biliverdin reductase A (BLVRA) LDTP04552 4.00  LDD0364 
Breakpoint cluster region protein (BCR) LDTP02560 .  LDD0364 
Complex I assembly factor ACAD9, mitochondrial (ACAD9) LDTP12048 4.44  LDD0270 
Cyclin-G-associated kinase (GAK) LDTP00497 .  LDD0364 
Ephrin type-B receptor 4 (EPHB4) LDTP04631 .  LDD0364 
Epithelial discoidin domain-containing receptor 1 (DDR1) LDTP05554 .  LDD0364 
Epoxide hydrolase 1 (EPHX1) LDTP02175 10.57  LDD0270 
Ferrochelatase, mitochondrial (FECH) LDTP03198 15.00  LDD0270 
Lanosterol synthase (LSS) LDTP04183 5.39  LDD0270 
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (PKMYT1) LDTP10930 9.32  LDD0270 
Mitogen-activated protein kinase 14 (MAPK14) LDTP06547 17.07  LDD0270 
Oxidoreductase HTATIP2 (HTATIP2) LDTP11247 6.60  LDD0270 
Proto-oncogene tyrosine-protein kinase Src (SRC) LDTP02638 .  LDD0364 
Protoporphyrinogen oxidase (PPOX) LDTP04353 7.29  LDD0270 
Receptor-interacting serine/threonine-protein kinase 2 (RIPK2) LDTP00751 .  LDD0364 
Retinol dehydrogenase 14 (RDH14) LDTP12180 5.40  LDD0270 
Ribosomal protein S6 kinase alpha-3 (RPS6KA3) LDTP04471 7.00  LDD0270 
Ribosyldihydronicotinamide dehydrogenase [quinone] (NQO2) LDTP02824 8.00  LDD0364 
Sterol O-acyltransferase 1 (SOAT1) LDTP03769 4.17  LDD0270 
Threonylcarbamoyladenosine tRNA methylthiotransferase (CDKAL1) LDTP07227 4.15  LDD0270 
Torsin-1B (TOR1B) LDTP00400 4.00  LDD0364 
Trypsin-3 (PRSS3) LDTP03703 4.50  LDD0365 
Tyrosine-protein kinase ABL1 (ABL1) LDTP01784 .  LDD0364 
Tyrosine-protein kinase ABL2 (ABL2) LDTP03991 .  LDD0365 
Tyrosine-protein kinase BTK (BTK) LDTP05478 .  LDD0364 
Tyrosine-protein kinase CSK (CSK) LDTP03944 16.06  LDD0270 
Tyrosine-protein kinase Fyn (FYN) LDTP02139 .  LDD0364 
Tyrosine-protein kinase Lyn (LYN) LDTP02232 27.67  LDD0270 
Tyrosine-protein kinase Tec (TEC) LDTP03989 21.50  LDD0270 
Tyrosine-protein kinase Yes (YES1) LDTP02231 .  LDD0365 
U5 small nuclear ribonucleoprotein 200 kDa helicase (SNRNP200) LDTP01283 4.00  LDD0364 
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⏷ Show the Full List of 35 Enzyme
4 Transporter and channel Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
B-cell receptor-associated protein 29 (BCAP29) LDTP16201 8.00  LDD0364 
Equilibrative nucleoside transporter 2 (SLC29A2) LDTP06144 9.25  LDD0270 
Integrin beta-1 (ITGB1) LDTP02122 7.40  LDD0270 
Large neutral amino acids transporter small subunit 3 (SLC43A1) LDTP01204 8.50  LDD0364 
------------------------------------------------------------------------------------
1 Transcription factor Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Signal transducer and activator of transcription 5B (STAT5B) LDTP04454 .  LDD0364 
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16 Other Competed by This Competitor
Target Name Target ID Binding Ratio Interaction ID
Brain-specific angiogenesis inhibitor 1-associated protein 2 (BAIAP2) LDTP13755 5.00  LDD0364 
DnaJ homolog subfamily A member 3, mitochondrial (DNAJA3) LDTP10282 4.50  LDD0364 
Eukaryotic translation initiation factor 3 subunit A (EIF3A) LDTP06055 4.50  LDD0365 
Keratin, type I cytoskeletal 17 (KRT17) LDTP05424 .  LDD0364 
Keratin, type I cytoskeletal 27 (KRT27) LDTP08043 .  LDD0364 
Keratin, type II cytoskeletal 1b (KRT77) LDTP08138 .  LDD0364 
Keratin, type II cytoskeletal 6A (KRT6A) LDTP01931 5.02  LDD0364 
Keratin, type II cytoskeletal 6B (KRT6B) LDTP02030 4.91  LDD0364 
Large ribosomal subunit protein eL21 (RPL21) LDTP04107 6.50  LDD0365 
Large ribosomal subunit protein eL6 (RPL6) LDTP05378 5.00  LDD0365 
Large ribosomal subunit protein uL3 (RPL3) LDTP03865 5.00  LDD0364 
Oxysterol-binding protein-related protein 2 (OSBPL2) LDTP11774 4.56  LDD0364 
Poly(U)-binding-splicing factor PUF60 (PUF60) LDTP13311 16.50  LDD0364 
Protein odr-4 homolog (ODR4) LDTP17214 4.00  LDD0270 
Small ribosomal subunit protein eS6 (RPS6) LDTP05002 4.33  LDD0364 
U1 small nuclear ribonucleoprotein 70 kDa (SNRNP70) LDTP02292 4.00  LDD0365 
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⏷ Show the Full List of 16 Other

Full Information of The Labelling Profiles of This Competitor

Dasatinib-CA-4PAP
 Probe Info 
Quantification: Probe vs (Probe+Competitor)
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 1 uM
Quantitative Method LFQ
Competitor Name Dasatinib
Competitor Concentration 20 uM
In Vitro Experiment Model Model Type
Cell lysate
Derived Tissue
Peripheral blood
Disease Model Chronic myeloid leukemia [ICD-11:2A20]
Model Name Human chronic myeloid leukemia cell lysate (K562)
Interaction Atlas ID  LDD0270  Download The Altas

Dasatinib-CA-3PAP
 Probe Info 
Quantification: Probe vs (Probe+Competitor)
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 1 uM
Quantitative Method LFQ
Competitor Name Dasatinib
Competitor Concentration 20 uM
In Vitro Experiment Model Model Type
Cell lysate
Derived Tissue
Peripheral blood
Disease Model Chronic myeloid leukemia [ICD-11:2A20]
Model Name Human chronic myeloid leukemia cell lysate (K562)
Interaction Atlas ID  LDD0365  Download The Altas

Dasatinib-CA-8PAP
 Probe Info 
Quantification: Probe vs (Probe+Competitor)
  
Experiment 1 Reporting the Labelling Profiles of This Probe
REF [1]
Probe concentration 1 uM
Quantitative Method LFQ
Competitor Name Dasatinib
Competitor Concentration 20 uM
In Vitro Experiment Model Model Type
Cell lysate
Derived Tissue
Peripheral blood
Disease Model Chronic myeloid leukemia [ICD-11:2A20]
Model Name Human chronic myeloid leukemia cell lysate (K562)
Interaction Atlas ID  LDD0364  Download The Altas

References

1 Streamlined Target Deconvolution Approach Utilizing a Single Photoreactive Chloroalkane Capture Tag. ACS Chem Biol. 2021 Feb 19;16(2):404-413. doi: 10.1021/acschembio.0c00987. Epub 2021 Feb 5.