Reaction Details Report a problem with these data
Target
Cytochrome P450 3A5
Ligand
BDBM50113980
Substrate
n/a
Meas. Tech.
ChEMBL_1511049 (CHEMBL3607269)
IC50
>20000±n/a nM
Citation
 Hennessy, EJ; Oza, V; Adam, A; Byth, K; Castriotta, L; Grewal, G; Hamilton, GA; Kamhi, VM; Lewis, P; Li, D; Lyne, P; ึster, L; Rooney, MT; Saeh, JC; Sha, L; Su, Q; Wen, S; Xue, Y; Yang, B Identification and Optimization of Benzimidazole Sulfonamides as Orally Bioavailable Sphingosine 1-Phosphate Receptor 1 Antagonists with in Vivo Activity. J Med Chem 58:7057-75 (2015) [PubMed]  Article 
Target
Name:
Cytochrome P450 3A5
Synonyms:
CP3A5_HUMAN | CYP3A5 | Cytochrome P450 3A5 | Cytochrome P450 3A5 (CYP3A5)
Type:
Protein
Mol. Mass.:
57118.00
Organism:
Homo sapiens (Human)
Description:
P20815
Residue:
502
Sequence:
MDLIPNLAVETWLLLAVSLVLLYLYGTRTHGLFKRLGIPGPTPLPLLGNVLSYRQGLWKFDTECYKKYGKMWGTYEGQLPVLAITDPDVIRTVLVKECYSVFTNRRSLGPVGFMKSAISLAEDEEWKRIRSLLSPTFTSGKLKEMFPIIAQYGDVLVRNLRREAEKGKPVTLKDIFGAYSMDVITGTSFGVNIDSLNNPQDPFVESTKKFLKFGFLDPLFLSIILFPFLTPVFEALNVSLFPKDTINFLSKSVNRMKKSRLNDKQKHRLDFLQLMIDSQNSKETESHKALSDLELAAQSIIFIFAGYETTSSVLSFTLYELATHPDVQQKLQKEIDAVLPNKAPPTYDAVVQMEYLDMVVNETLRLFPVAIRLERTCKKDVEINGVFIPKGSMVVIPTYALHHDPKYWTEPEEFRPERFSKKKDSIDPYIYTPFGTGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLDTQGLLQPEKPIVLKVDSRDGTLSGE
  
Inhibitor
Name:
BDBM50113980
Synonyms:
CHEMBL3605557
Type:
Small organic molecule
Emp. Form.:
C17H15F3N6O2S
Mol. Mass.:
424.4
SMILES:
CCn1c(nc2cnc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1ccc(nc1)C#N |r|
Structure:
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