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Target
Cytochrome P450 2C9
Ligand
BDBM50240469
Substrate
n/a
Meas. Tech.
ChEMBL_1668232 (CHEMBL4018120)
IC50
>10000±n/a nM
Citation
 Sakurada, I; Endo, T; Hikita, K; Hirabayashi, T; Hosaka, Y; Kato, Y; Maeda, Y; Matsumoto, S; Mizuno, T; Nagasue, H; Nishimura, T; Shimada, S; Shinozaki, M; Taguchi, K; Takeuchi, K; Yokoyama, T; Hruza, A; Reichert, P; Zhang, T; Wood, HB; Nakao, K; Furusako, S Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors. Bioorg Med Chem Lett 27:2622-2628 (2017) [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:
BDBM50240469
Synonyms:
CHEMBL4096341
Type:
Small organic molecule
Emp. Form.:
C22H19Cl2N7O2
Mol. Mass.:
484.338
SMILES:
[H][C@@]12CC[C@]([H])([C@H]1NC(=O)c1ccc(cc1Cl)-n1cnc(C)n1)N(C2)c1ncc(Cl)c2cnoc12 |r,TLB:7:6:23.24:2.3,THB:25:23:6:2.3|
Structure:
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