Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM282572 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1742659 (CHEMBL4158409) |
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IC50 | 13300±n/a nM |
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Citation | Wehn, PM; Rizzi, JP; Dixon, DD; Grina, JA; Schlachter, ST; Wang, B; Xu, R; Yang, H; Du, X; Han, G; Wang, K; Cao, Z; Cheng, T; Czerwinski, RM; Goggin, BS; Huang, H; Halfmann, MM; Maddie, MA; Morton, EL; Olive, SR; Tan, H; Xie, S; Wong, T; Josey, JA; Wallace, EM Design and Activity of Specific Hypoxia-Inducible Factor-2? (HIF-2?) Inhibitors for the Treatment of Clear Cell Renal Cell Carcinoma: Discovery of Clinical Candidate ( S)-3-((2,2-Difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1 H-inden-4-yl)oxy)-5-fluorobenzonitrile (PT2385). J Med Chem61:9691-9721 (2018) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cytochrome P450 3A4 |
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Name: | Cytochrome P450 3A4 |
Synonyms: | Albendazole monooxygenase | Albendazole sulfoxidase | CP3A4_HUMAN | CYP3A3 | CYP3A4 | CYPIIIA3 | CYPIIIA4 | Cytochrome P450 3A3 | Cytochrome P450 3A4 (CYP3A4) | Cytochrome P450 HLp | Nifedipine oxidase | Quinine 3-monooxygenase | Taurochenodeoxycholate 6-alpha-hydroxylase |
Type: | Enzyme |
Mol. Mass.: | 57349.57 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 503 |
Sequence: | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
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BDBM282572 |
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n/a |
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Name | BDBM282572 |
Synonyms: | (R)-3-((4-(difluoromethyl)-2,2-difluoro-3-hydroxy- 1,1-dioxido-2,3-dihydrobenzo[b]thiophen-5-yl)oxy)- 5-fluorobenzonitrile | US9884843, Compound 3 | US9884843, Compound 43 |
Type | Small organic molecule |
Emp. Form. | C16H8F5NO4S |
Mol. Mass. | 405.296 |
SMILES | O[C@@H]1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)S(=O)(=O)C1(F)F |r| |
Structure |
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