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Target
Cytochrome P450 1A2
Ligand
BDBM50384612
Substrate
n/a
Meas. Tech.
ChEMBL_820771 (CHEMBL2038329)
IC50
>50000±n/a nM
Citation
 Palani, A; Rao, AU; Chen, X; Huang, X; Su, J; Tang, H; Huang, Y; Qin, J; Xiao, D; Degrado, S; Sofolarides, M; Zhu, X; Liu, Z; McKittrick, B; Zhou, W; Aslanian, R; Greenlee, WJ; Senior, M; Cheewatrakoolpong, B; Zhang, H; Farley, C; Cook, J; Kurowski, S; Li, Q; van Heek, M; Wang, G; Hsieh, Y; Li, F; Greenfeder, S; Chintala, M Discovery of SCH 900271, a Potent Nicotinic Acid Receptor Agonist for the Treatment of Dyslipidemia. ACS Med Chem Lett 3:63-68 (2012) [PubMed]  Article
Target
Name:
Cytochrome P450 1A2
Synonyms:
CP1A2_HUMAN | CYP1A2 | CYPIA2 | Cholesterol 25-hydroxylase | Cytochrome P(3)450 | Cytochrome P450 1A | Cytochrome P450 1A2 (CYP1A2) | Cytochrome P450 4 | Cytochrome P450-P3
Type:
Enzyme
Mol. Mass.:
58423.38
Organism:
Homo sapiens (Human)
Description:
P05177
Residue:
516
Sequence:
MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
  
Inhibitor
Name:
BDBM50384612
Synonyms:
CHEMBL2036958
Type:
Small organic molecule
Emp. Form.:
C14H16N2O4
Mol. Mass.:
276.2878
SMILES:
CC1(CCCc2cc(=O)oc3[nH]c(=O)[nH]c(=O)c23)CC1
Structure:
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