Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50457704
Substrate
n/a
Meas. Tech.
ChEMBL_1760537 (CHEMBL4195545)
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 2C9
Synonyms:
(R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | CP2C9_HUMAN | CYP2C10 | CYP2C9 | CYPIIC9 | Cytochrome P450 2C9 (CYP2C9 ) | Cytochrome P450 2C9 (CYP2C9) | P-450MP | P450 MP-4/MP-8 | P450 PB-1 | S-mephenytoin 4-hydroxylase
Type:
Enzyme
Mol. Mass.:
55636.33
Organism:
Homo sapiens (Human)
Description:
P11712
Residue:
490
Sequence:
MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM50457704
Synonyms:
CHEMBL4202565
Type:
Small organic molecule
Emp. Form.:
C25H21FN4O3S
Mol. Mass.:
476.523
SMILES:
Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1-c1cccc(F)c1)S(C)(=O)=O
Structure:
Search PDB for entries with ligand similarity: