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Target
Cytochrome P450 2C9
Ligand
BDBM50532533
Substrate
n/a
Meas. Tech.
ChEMBL_1923316 (CHEMBL4426272)
IC50
>40000±n/a nM
Citation
 Gilmore, JL; Sheppeck, JE; Watterson, SH; Haque, L; Mukhopadhyay, P; Tebben, AJ; Galella, MA; Shen, DR; Yarde, M; Cvijic, ME; Borowski, V; Gillooly, K; Taylor, T; McIntyre, KW; Warrack, B; Levesque, PC; Li, JP; Cornelius, G; D'Arienzo, C; Marino, A; Balimane, P; Salter-Cid, L; Barrish, JC; Pitts, WJ; Carter, PH; Xie, J; Dyckman, AJ Discovery and Structure-Activity Relationship (SAR) of a Series of Ethanolamine-Based Direct-Acting Agonists of Sphingosine-1-phosphate (S1P1). J Med Chem 59:6248-64 (2016) [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:
BDBM50532533
Synonyms:
CHEMBL4458575
Type:
Small organic molecule
Emp. Form.:
C27H25F3N4O5
Mol. Mass.:
542.5064
SMILES:
O[C@H](CN1CCC[C@H](CC(O)=O)C1)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1 |r|
Structure:
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