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Target
Fatty acid-binding protein, brain
Ligand
BDBM50468436
Substrate
n/a
Meas. Tech.
ChEMBL_1799516 (CHEMBL4271808)
Ki
740±n/a nM
Citation
 Yan, S; Elmes, MW; Tong, S; Hu, K; Awwa, M; Teng, GYH; Jing, Y; Freitag, M; Gan, Q; Clement, T; Wei, L; Sweeney, JM; Joseph, OM; Che, J; Carbonetti, GS; Wang, L; Bogdan, DM; Falcone, J; Smietalo, N; Zhou, Y; Ralph, B; Hsu, HC; Li, H; Rizzo, RC; Deutsch, DG; Kaczocha, M; Ojima, I SAR studies on truxillic acid mono esters as a new class of antinociceptive agents targeting fatty acid binding proteins. Eur J Med Chem 154:233-252 (2018) [PubMed]  Article 
Target
Name:
Fatty acid-binding protein, brain
Synonyms:
B-FABP | BLBP | FABP7 | FABP7_HUMAN | FABPB | MRG
Type:
PROTEIN
Mol. Mass.:
14886.73
Organism:
Homo sapiens
Description:
ChEMBL_116822
Residue:
132
Sequence:
MVEAFCATWKLTNSQNFDEYMKALGVGFATRQVGNVTKPTVIISQEGDKVVIRTLSTFKNTEISFQLGEEFDETTADDRNCKSVVSLDGDKLVHIQKWDGKETNFVREIKDGKMVMTLTFGDVVAVRHYEKA
  
Inhibitor
Name:
BDBM50468436
Synonyms:
CHEMBL4295043 | US10968163, Compound 3h
Type:
Small organic molecule
Emp. Form.:
C30H24O4
Mol. Mass.:
448.5092
SMILES:
OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1cccc(c1)-c1ccccc1)c1ccccc1 |r,wU:4.31,5.14,wD:3.2,6.7,(29.04,-31.59,;27.56,-31.19,;27.16,-29.7,;26.47,-32.28,;24.93,-32.28,;24.93,-33.82,;26.47,-33.82,;27.56,-34.91,;27.15,-36.39,;28.24,-37.48,;29.73,-37.08,;30.12,-35.59,;29.03,-34.51,;23.84,-34.91,;22.35,-34.51,;24.24,-36.39,;23.15,-37.48,;23.55,-38.96,;22.47,-40.05,;20.97,-39.65,;20.57,-38.16,;21.66,-37.08,;19.09,-37.77,;18.7,-36.28,;17.21,-35.88,;16.12,-36.97,;16.52,-38.46,;18.01,-38.86,;23.84,-31.19,;24.24,-29.71,;23.15,-28.62,;21.66,-29.02,;21.27,-30.51,;22.36,-31.6,)|
Structure:
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