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Target
Cytochrome P450 2C9
Ligand
BDBM50222062
Substrate
n/a
Meas. Tech.
ChEMBL_457747 (CHEMBL924025)
IC50
1470±n/a nM
Citation
 Shi, Y; Sitkoff, D; Zhang, J; Han, W; Hu, Z; Stein, PD; Wang, Y; Kennedy, LJ; O'Connor, SP; Ahmad, S; Liu, EC; Seiler, SM; Lam, PY; Robl, JA; Macor, JE; Atwal, KS; Zahler, R Amino(methyl) pyrrolidines as novel scaffolds for factor Xa inhibitors. Bioorg Med Chem Lett 17:5952-8 (2007) [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:
BDBM50222062
Synonyms:
(E)-2-(5-(5-chlorothiophen-2-yl)thiophen-2-yl)-N-(((R)-1-(1-(pyridin-4-yl)piperidine-4-carbonyl)pyrrolidin-3-yl)methyl)ethenesulfonamide | CHEMBL248849
Type:
Small organic molecule
Emp. Form.:
C26H29ClN4O3S3
Mol. Mass.:
577.181
SMILES:
Clc1ccc(s1)-c1ccc(\C=C\S(=O)(=O)NC[C@@H]2CCN(C2)C(=O)C2CCN(CC2)c2ccncc2)s1
Structure:
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