Details of the Target

General Information of Target

Target ID LDTP02054
Target Name Cytochrome P450 1A1 (CYP1A1)
Gene Name CYP1A1
Gene ID 1543
Synonyms
Cytochrome P450 1A1; CYPIA1; EC 1.14.14.1; Cytochrome P450 form 6; Cytochrome P450-C; Cytochrome P450-P1; Hydroperoxy icosatetraenoate dehydratase; EC 4.2.1.152
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MLFPISMSATEFLLASVIFCLVFWVIRASRPQVPKGLKNPPGPWGWPLIGHMLTLGKNPH
LALSRMSQQYGDVLQIRIGSTPVVVLSGLDTIRQALVRQGDDFKGRPDLYTFTLISNGQS
MSFSPDSGPVWAARRRLAQNGLKSFSIASDPASSTSCYLEEHVSKEAEVLISTLQELMAG
PGHFNPYRYVVVSVTNVICAICFGRRYDHNHQELLSLVNLNNNFGEVVGSGNPADFIPIL
RYLPNPSLNAFKDLNEKFYSFMQKMVKEHYKTFEKGHIRDITDSLIEHCQEKQLDENANV
QLSDEKIINIVLDLFGAGFDTVTTAISWSLMYLVMNPRVQRKIQEELDTVIGRSRRPRLS
DRSHLPYMEAFILETFRHSSFVPFTIPHSTTRDTSLKGFYIPKGRCVFVNQWQINHDQKL
WVNPSEFLPERFLTPDGAIDKVLSEKVIIFGMGKRKCIGETIARWEVFLFLAILLQRVEF
SVPLGVKVDMTPIYGLTMKHACCEHFQMQLRS
Target Bioclass
Enzyme
Family
Cytochrome P450 family
Subcellular location
Endoplasmic reticulum membrane
Function
A cytochrome P450 monooxygenase involved in the metabolism of various endogenous substrates, including fatty acids, steroid hormones and vitamins. Mechanistically, uses molecular oxygen inserting one oxygen atom into a substrate, and reducing the second into a water molecule, with two electrons provided by NADPH via cytochrome P450 reductase (NADPH--hemoprotein reductase). Catalyzes the hydroxylation of carbon-hydrogen bonds. Exhibits high catalytic activity for the formation of hydroxyestrogens from estrone (E1) and 17beta-estradiol (E2), namely 2-hydroxy E1 and E2, as well as D-ring hydroxylated E1 and E2 at the C15-alpha and C16-alpha positions. Displays different regioselectivities for polyunsaturated fatty acids (PUFA) hydroxylation. Catalyzes the epoxidation of double bonds of certain PUFA. Converts arachidonic acid toward epoxyeicosatrienoic acid (EET) regioisomers, 8,9-, 11,12-, and 14,15-EET, that function as lipid mediators in the vascular system. Displays an absolute stereoselectivity in the epoxidation of eicosapentaenoic acid (EPA) producing the 17(R),18(S) enantiomer. May play an important role in all-trans retinoic acid biosynthesis in extrahepatic tissues. Catalyzes two successive oxidative transformation of all-trans retinol to all-trans retinal and then to the active form all-trans retinoic acid. May also participate in eicosanoids metabolism by converting hydroperoxide species into oxo metabolites (lipoxygenase-like reaction, NADPH-independent).
Uniprot ID
P04798
Ensemble ID
ENST00000379727.8
HGNC ID
HGNC:2595
ChEMBL ID
CHEMBL2231

Target Site Mutations in Different Cell Lines

Cell line Mutation details Probe for labeling this protein in this cell
HT115 SNV: p.S395R; p.Q413E .
KMS11 SNV: p.V334M .
MCC13 SNV: p.E346K .
MEWO SNV: p.H416Y .
NCIH23 Substitution: p.N249M .
RBE Deletion: p.Q344KfsTer4 .
SW756 SNV: p.E268V .

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 4 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
YN-1
 Probe Info  		100.00  LDD0444  [1]
YN-4
 Probe Info  		100.00  LDD0445  [1]
DBIA
 Probe Info  		C289(1.15)  LDD3493  [2]
ART-yne
 Probe Info  		1.68  LDD0234  [3]

Competitor(s) Related to This Target

Competitor ID Name Cell line Binding Site(Ratio) Interaction ID Ref
 LDCM0091  Astemisinin MCF-7 1.68  LDD0234  [3]
 LDCM0022  KB02 AU565 C406(2.13)  LDD2265  [2]
 LDCM0023  KB03 AU565 C406(4.51); C289(2.05)  LDD2682  [2]
 LDCM0024  KB05 ZR-75-1 C289(1.15)  LDD3493  [2]

The Interaction Atlas With This Target

The Protein(s) Related To This Target

Cytokine and receptor
Click To Hide/Show 1 Protein(s) Interacting with This Target
Protein name Family Uniprot ID
CKLF-like MARVEL transmembrane domain-containing protein 5 (CMTM5) Chemokine-like factor family Q96DZ9

The Drug(s) Related To This Target

Approved
Click To Hide/Show 92 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Albendazole Small molecular drug DB00518
Amiodarone Small molecular drug DB01118
Amlodipine Small molecular drug DB00381
Amodiaquine Small molecular drug DB00613
Azelastine Small molecular drug DB00972
Bezafibrate Small molecular drug DB01393
Caffeine Small molecular drug DB00201
Cannabidiol Small molecular drug DB09061
Carvedilol Small molecular drug DB01136
Chloroquine Small molecular drug DB00608
Chlorzoxazone Small molecular drug DB00356
Cholecalciferol Small molecular drug DB00169
Cinnarizine Small molecular drug DB00568
Clenbuterol Small molecular drug DB01407
Clofibrate Small molecular drug DB00636
Clonidine Small molecular drug DB00575
Clozapine Small molecular drug DB00363
Dacarbazine Small molecular drug DB00851
Dapagliflozin Small molecular drug DB06292
Dasatinib Small molecular drug DB01254
Debrisoquine Small molecular drug DB04840
Dexamethasone Small molecular drug DB01234
Dexmedetomidine Small molecular drug DB00633
Dronabinol Small molecular drug DB00470
Erlotinib Small molecular drug DB00530
Estradiol Small molecular drug DB00783
Estradiol Acetate Small molecular drug DB13952
Estradiol Cypionate Small molecular drug DB13954
Estradiol Valerate Small molecular drug DB13956
Estrone Small molecular drug DB00655
Ethanol Small molecular drug DB00898
Flunarizine Small molecular drug DB04841
Flutamide Small molecular drug DB00499
Fluvastatin Small molecular drug DB01095
Fluvoxamine Small molecular drug DB00176
Gefitinib Small molecular drug DB00317
Ginkgo Biloba Small molecular drug DB01381
Granisetron Small molecular drug DB00889
Haloperidol Small molecular drug DB00502
Isoprenaline Small molecular drug DB01064
Istradefylline Small molecular drug DB11757
Itraconazole Small molecular drug DB01167
Ketoconazole Small molecular drug DB01026
Lansoprazole Small molecular drug DB00448
Loratadine Small molecular drug DB00455
Lorcaserin Small molecular drug DB04871
Manidipine Small molecular drug DB09238
Mebendazole Small molecular drug DB00643
Melatonin Small molecular drug DB01065
Menadione Small molecular drug DB00170
Nicotine Small molecular drug DB00184
Nifedipine Small molecular drug DB01115
Nitroprusside Small molecular drug DB00325
Norfloxacin Small molecular drug DB01059
Omeprazole Small molecular drug DB00338
Pentamidine Small molecular drug DB00738
Phenobarbital Small molecular drug DB01174
Pioglitazone Small molecular drug DB01132
Primaquine Small molecular drug DB01087
Progesterone Small molecular drug DB00396
Propofol Small molecular drug DB00818
Propranolol Small molecular drug DB00571
Propylthiouracil Small molecular drug DB00550
Pyridoxine Small molecular drug DB00165
Quinidine Small molecular drug DB00908
Quinine Small molecular drug DB00468
Rabeprazole Small molecular drug DB01129
Riluzole Small molecular drug DB00740
Riociguat Small molecular drug DB08931
Romidepsin Small molecular drug DB06176
Safinamide Small molecular drug DB06654
Solifenacin Small molecular drug DB01591
Streptozocin Small molecular drug DB00428
Sulindac Small molecular drug DB00605
Tamoxifen Small molecular drug DB00675
Testosterone Small molecular drug DB00624
Testosterone Undecanoate Small molecular drug DB13946
Thalidomide Small molecular drug DB01041
Theophylline Small molecular drug DB00277
Thiabendazole Small molecular drug DB00730
Toremifene Small molecular drug DB00539
Tretinoin Small molecular drug DB00755
Troglitazone Small molecular drug DB00197
Copanlisib . DB12483
Dexamethasone Acetate . DB14649
Diosmin . DB08995
Estradiol Benzoate . DB13953
Estradiol Dienanthate . DB13955
Finerenone . DB16165
Testosterone Cypionate . DB13943
Testosterone Enanthate . DB13944
Triclocarban . DB11155
Investigative
Click To Hide/Show 13 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
2-methoxyestradiol Small molecular drug DB02342
Azimilide Small molecular drug DB04957
Banoxantrone Small molecular drug DB04975
Ellagic Acid Small molecular drug DB08846
Nabiximols Small molecular drug DB14011
Perospirone Small molecular drug DB08922
Picrotoxin Small molecular drug DB00466
Resveratrol Small molecular drug DB02709
Tesmilifene Small molecular drug DB04905
Topiroxostat Small molecular drug DB01685
Dovitinib . DB05928
Indirubin . DB12379
Medical Cannabis . DB14009
Discontinued
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Phenacetin Small molecular drug DB03783

References

1 Ynamide Electrophile for the Profiling of Ligandable Carboxyl Residues in Live Cells and the Development of New Covalent Inhibitors. J Med Chem. 2022 Aug 11;65(15):10408-10418. doi: 10.1021/acs.jmedchem.2c00272. Epub 2022 Jul 26.
2 DrugMap: A quantitative pan-cancer analysis of cysteine ligandability. Cell. 2024 May 9;187(10):2536-2556.e30. doi: 10.1016/j.cell.2024.03.027. Epub 2024 Apr 22.
Mass spectrometry data entry: PXD047840
3 Artemisinin inhibits NRas palmitoylation by targeting the protein acyltransferase ZDHHC6. Cell Chem Biol. 2022 Mar 17;29(3):530-537.e7. doi: 10.1016/j.chembiol.2021.07.012. Epub 2021 Aug 5.