Reaction Details |
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Target | Cytochrome P450 2C8 |
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Ligand | BDBM50553584 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2046890 (CHEMBL4701589) |
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IC50 | 1900±n/a nM |
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Citation | Shi, Q; Xiao, Z; Yang, MG; Marcoux, D; Cherney, RJ; Yip, S; Li, P; Wu, DR; Weigelt, CA; Sack, J; Khan, J; Ruzanov, M; Wang, J; Yarde, M; Ellen Cvijic, M; Li, S; Shuster, DJ; Xie, J; Sherry, T; Obermeier, M; Fura, A; Stefanski, K; Cornelius, G; Chacko, S; Shu, YZ; Khandelwal, P; Hynes, J; Tino, JA; Salter-Cid, L; Denton, R; Zhao, Q; Dhar, TGM Tricyclic sulfones as potent, selective and efficacious ROR?t inverse agonists - Exploring C6 and C8 SAR using late-stage functionalization. Bioorg Med Chem Lett30:0 (2020) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cytochrome P450 2C8 |
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Name: | Cytochrome P450 2C8 |
Synonyms: | CP2C8_HUMAN | CYP2C8 | CYPIIC8 | Cytochrome P450 2C8 (CYP2C8) | P450 IIC2 | P450 MP-12/MP-20 | P450 form 1 | S-mephenytoin 4-hydroxylase |
Type: | Protein |
Mol. Mass.: | 55839.23 |
Organism: | Homo sapiens (Human) |
Description: | P10632 |
Residue: | 490 |
Sequence: | MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKV
YGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRW
KEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICS
VVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALT
RSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTE
TTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSD
LVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFK
KSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLP
PSYQICFIPV
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BDBM50553584 |
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n/a |
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Name | BDBM50553584 |
Synonyms: | CHEMBL4763134 |
Type | Small organic molecule |
Emp. Form. | C30H29F8NO5S |
Mol. Mass. | 667.607 |
SMILES | [H][C@@]12CCc3cc(c(F)cc3[C@@]1(CCN2C(=O)[C@@H]1CC[C@H](C[C@@H]1C)C(O)=O)S(=O)(=O)c1ccccc1)C(F)(C(F)(F)F)C(F)(F)F |r| |
Structure |
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