Reaction Details Report a problem with these data
Target
Cytochrome P450 3A5
Ligand
BDBM50457692
Substrate
n/a
Meas. Tech.
ChEMBL_1760541 (CHEMBL4195549)
IC50
>10000±n/a nM
Citation
 Santora, VJ; Almos, TA; Barido, R; Basinger, J; Bellows, CL; Bookser, BC; Breitenbucher, JG; Broadbent, NJ; Cabebe, C; Chai, CK; Chen, M; Chow, S; Chung, M; Crickard, L; Danks, AM; Freestone, GC; Gitnick, D; Gupta, V; Hoffmaster, C; Hudson, AR; Kaplan, AP; Kennedy, MR; Lee, D; Limberis, J; Ly, K; Mak, CC; Masatsugu, B; Morse, AC; Na, J; Neul, D; Nikpur, J; Peters, M; Petroski, RE; Renick, J; Sebring, K; Sevidal, S; Tabatabaei, A; Wen, J; Yan, Y; Yoder, ZW; Zook, D Design and Synthesis of Novel and Selective Glycine Transporter-1 (GlyT1) Inhibitors with Memory Enhancing Properties. J Med Chem 61:6018-6033 (2018) [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:
BDBM50457692
Synonyms:
CHEMBL4211012
Type:
Small organic molecule
Emp. Form.:
C22H19F4N3O4S
Mol. Mass.:
497.463
SMILES:
C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1F)S(C)(=O)=O)C(F)(F)F |r|
Structure:
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