Reaction Details Report a problem with these data
Target
Fatty acid-binding protein, adipocyte
Ligand
BDBM50177674
Substrate
n/a
Meas. Tech.
ChEMBL_1583389 (CHEMBL3816121)
Ki
100±n/a nM
Citation
 Tagami, U; Takahashi, K; Igarashi, S; Ejima, C; Yoshida, T; Takeshita, S; Miyanaga, W; Sugiki, M; Tokumasu, M; Hatanaka, T; Kashiwagi, T; Ishikawa, K; Miyano, H; Mizukoshi, T Interaction Analysis of FABP4 Inhibitors by X-ray Crystallography and Fragment Molecular Orbital Analysis. ACS Med Chem Lett 7:435-9 (2016) [PubMed]  Article 
Target
Name:
Fatty acid-binding protein, adipocyte
Synonyms:
A-FABP | AFABP | ALBP | Adipocyte lipid-binding protein | FABP4 | FABP4_HUMAN | Fatty acid binding protein adipocyte | Fatty acid-binding protein 4 | Fatty acid-binding protein 4 (FABP4)
Type:
Enzyme
Mol. Mass.:
14719.23
Organism:
Homo sapiens (Human)
Description:
P15090
Residue:
132
Sequence:
MCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA
  
Inhibitor
Name:
BDBM50177674
Synonyms:
CHEMBL3813892
Type:
Small organic molecule
Emp. Form.:
C26H24N2O3
Mol. Mass.:
412.4804
SMILES:
COc1cnccc1-c1c(-c2ccccc2)n(CCC(O)=O)c2ccc(cc12)C1CC1 |(6.01,-2.39,;4.83,-2.05,;3.72,-3.12,;4.09,-4.62,;2.98,-5.68,;1.5,-5.26,;1.13,-3.76,;2.24,-2.7,;1.76,-1.24,;2.66,.02,;4.2,.03,;5.05,1.3,;6.59,1.2,;7.27,-.19,;6.41,-1.46,;4.87,-1.36,;1.76,1.24,;2.24,2.7,;3.75,3.01,;4.23,4.48,;3.41,5.4,;5.43,4.73,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;-3.71,-1.53,;-4.4,-2.82,;-5.17,-1.49,)|
Structure:
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