Reaction Details Report a problem with these data
Target
Fatty acid-binding protein, adipocyte
Ligand
BDBM50177675
Substrate
n/a
Meas. Tech.
ChEMBL_1583389 (CHEMBL3816121)
Ki
30±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:
BDBM50177675
Synonyms:
CHEMBL3814634
Type:
Small organic molecule
Emp. Form.:
C28H31N3O3
Mol. Mass.:
457.564
SMILES:
CC(C)Oc1cccc(c1)-c1c(-c2c(C)n[nH]c2C)c2cc(ccc2n1CCC(O)=O)C1CC1 |(9.68,3.39,;8.99,2.37,;9.53,1.26,;7.45,2.48,;6.59,1.2,;7.27,-.19,;6.41,-1.46,;4.87,-1.36,;4.2,.03,;5.05,1.3,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;3.66,-3.26,;4.7,-2.6,;3.55,-4.79,;2.05,-5.16,;1.24,-3.85,;.01,-3.75,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.24,2.7,;3.75,3.01,;4.23,4.48,;3.41,5.4,;5.43,4.73,;-3.71,-1.53,;-4.4,-2.82,;-5.17,-1.49,)|
Structure:
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