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Target
Cytochrome P450 1A2
Ligand
BDBM50455101
Substrate
n/a
Meas. Tech.
ChEMBL_1753881 (CHEMBL4188641)
IC50
>30000±n/a nM
Citation
 Siddiqui-Jain, A; Hoj, JP; Cescon, DW; Hansen, MD Pharmacology and in vivo efficacy of pyridine-pyrimidine amides that inhibit microtubule polymerization. Bioorg Med Chem Lett 28:934-941 (2018) [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:
BDBM50455101
Synonyms:
CHEMBL4217112
Type:
Small organic molecule
Emp. Form.:
C15H12N4OS
Mol. Mass.:
296.347
SMILES:
Cc1ncc(cn1)C(=O)Nc1ccc(cn1)-c1ccsc1
Structure:
Search PDB for entries with ligand similarity: