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Target
Cytochrome P450 1A2
Ligand
BDBM50348420
Substrate
n/a
Meas. Tech.
ChEMBL_755265 (CHEMBL1804119)
IC50
60±n/a nM
Citation
 Morgan, BP; Muci, A; Lu, PP; Qian, X; Tochimoto, T; Smith, WW; Garard, M; Kraynack, E; Collibee, S; Suehiro, I; Tomasi, A; Valdez, SC; Wang, W; Jiang, H; Hartman, J; Rodriguez, HM; Kawas, R; Sylvester, S; Elias, KA; Godinez, G; Lee, K; Anderson, R; Sueoka, S; Xu, D; Wang, Z; Djordjevic, N; Malik, FI; Morgans, DJ Discovery of omecamtiv mecarbil the first, selective, small molecule activator of cardiac Myosin. ACS Med Chem Lett 1:472-477 (2010) [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:
BDBM50348420
Synonyms:
CHEMBL1800951
Type:
Small organic molecule
Emp. Form.:
C18H22FN5O4S
Mol. Mass.:
423.462
SMILES:
CN(C)S(=O)(=O)N1CC[C@H](C1)Oc1cc(F)cc(NC(=O)Nc2cccnc2)c1 |r|
Structure:
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