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Target
Cytochrome P450 2C9
Ligand
BDBM50448471
Substrate
n/a
Meas. Tech.
ChEMBL_1297869 (CHEMBL3131894)
IC50
>10000±n/a nM
Citation
 Procopiou, PA; Barrett, VJ; Biggadike, K; Butchers, PR; Craven, A; Ford, AJ; Guntrip, SB; Holmes, DS; Hughes, SC; Jones, AE; Looker, BE; Mutch, PJ; Ruston, M; Needham, D; Smith, CE Discovery of a rapidly metabolized, long-actingß(2) adrenergic receptor agonist with a short onset time incorporating a sulfone group suitable for once-daily dosing. J Med Chem 57:159-70 (2014) [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:
BDBM50448471
Synonyms:
CHEMBL3126382
Type:
Small organic molecule
Emp. Form.:
C30H45NO6S
Mol. Mass.:
547.746
SMILES:
OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(c1)S(=O)(=O)C1CCCC1 |r|
Structure:
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