Reaction Details Report a problem with these data
Target
Cytochrome P450 2B1
Ligand
BDBM50330386
Substrate
n/a
Meas. Tech.
ChEMBL_684298 (CHEMBL1286936)
Kd
1120±n/a nM
Citation
 Rosales-Hernández, MC; Mendieta-Wejebe, JE; Trujillo-Ferrara, JG; Correa-Basurto, J Homology modeling and molecular dynamics of CYP1A1 and CYP2B1 to explore the metabolism of aryl derivatives by docking and experimental assays. Eur J Med Chem 45:4845-55 (2010) [PubMed]  Article 
Target
Name:
Cytochrome P450 2B1
Synonyms:
CP2B1_RAT | Cyp2b-1 | Cyp2b1
Type:
PROTEIN
Mol. Mass.:
55940.51
Organism:
Rattus norvegicus
Description:
ChEMBL_774167
Residue:
491
Sequence:
MEPTILLLLALLVGFLLLLVRGHPKSRGNFPPGPRPLPLLGNLLQLDRGGLLNSFMQLREKYGDVFTVHLGPRPVVMLCGTDTIKEALVGQAEDFSGRGTIAVIEPIFKEYGVIFANGERWKALRRFSLATMRDFGMGKRSVEERIQEEAQCLVEELRKSQGAPLDPTFLFQCITANIICSIVFGERFDYTDRQFLRLLELFYRTFSLLSSFSSQVFEFFSGFLKYFPGAHRQISKNLQEILDYIGHIVEKHRATLDPSAPRDFIDTYLLRMEKEKSNHHTEFHHENLMISLLSLFFAGTETSSTTLRYGFLLMLKYPHVAEKVQKEIDQVIGSHRLPTLDDRSKMPYTDAVIHEIQRFSDLVPIGVPHRVTKDTMFRGYLLPKNTEVYPILSSALHDPQYFDHPDSFNPEHFLDANGALKKSEAFMPFSTGKRICLGEGIARNELFLFFTTILQNFSVSSHLAPKDIDLTPKESGIGKIPPTYQICFSAR
  
Inhibitor
Name:
BDBM50330386
Synonyms:
4-(4'-hydroxy-phenylamino)-4-oxo propanoic acid | CHEMBL1275862
Type:
Small organic molecule
Emp. Form.:
C10H11NO4
Mol. Mass.:
209.1986
SMILES:
OC(=O)CCC(=O)Nc1ccc(O)cc1
Structure:
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