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Target
Cytochrome P450 1A2
Ligand
BDBM50399033
Substrate
n/a
Meas. Tech.
ChEMBL_874066 (CHEMBL2186599)
IC50
3100±n/a nM
Citation
 Hanan, EJ; van Abbema, A; Barrett, K; Blair, WS; Blaney, J; Chang, C; Eigenbrot, C; Flynn, S; Gibbons, P; Hurley, CA; Kenny, JR; Kulagowski, J; Lee, L; Magnuson, SR; Morris, C; Murray, J; Pastor, RM; Rawson, T; Siu, M; Ultsch, M; Zhou, A; Sampath, D; Lyssikatos, JP Discovery of potent and selective pyrazolopyrimidine janus kinase 2 inhibitors. J Med Chem 55:10090-107 (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:
BDBM50399033
Synonyms:
CHEMBL2178255
Type:
Small organic molecule
Emp. Form.:
C16H12ClN7O
Mol. Mass.:
353.766
SMILES:
Nc1ccn2ncc(C(=O)Nc3c[nH]nc3-c3cccc(Cl)c3)c2n1
Structure:
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