Reaction Details Report a problem with these data
Target
Fatty acid-binding protein 5
Ligand
BDBM50468434
Substrate
n/a
Meas. Tech.
ChEMBL_1799515 (CHEMBL4271807)
Ki
1230±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 5
Synonyms:
FABP5 | FABP5_HUMAN | Fatty acid binding protein epidermal | Fatty acid-binding protein 5 (FABP5)
Type:
Enzyme
Mol. Mass.:
15164.79
Organism:
Homo sapiens (Human)
Description:
Q01469
Residue:
135
Sequence:
MATVQQLEGRWRLVDSKGFDEYMKELGVGIALRKMGAMAKPDCIITCDGKNLTIKTESTLKTTQFSCTLGEKFEETTADGRKTQTVCNFTDGALVQHQEWDGKESTITRKLKDGKLVVECVMNNVTCTRIYEKVE
  
Inhibitor
Name:
BDBM50468434
Synonyms:
CHEMBL4294220
Type:
Small organic molecule
Emp. Form.:
C30H26Cl4O4
Mol. Mass.:
592.337
SMILES:
OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1c(Cl)cccc1Cl)C(=O)O[C@@H]1CCCC[C@H]1c1ccccc1)c1c(Cl)cccc1Cl |r,wU:4.33,5.16,18.19,wD:3.2,6.7,23.26,(12.32,-38.97,;10.83,-38.57,;10.44,-37.08,;9.75,-39.66,;8.21,-39.66,;8.21,-41.2,;9.75,-41.2,;10.83,-42.29,;12.31,-41.89,;12.71,-40.4,;13.4,-42.97,;13.01,-44.47,;11.52,-44.86,;10.43,-43.78,;8.94,-44.17,;7.12,-42.29,;5.63,-41.89,;7.52,-43.78,;6.43,-44.86,;4.94,-44.46,;3.85,-45.55,;4.25,-47.04,;5.75,-47.42,;6.83,-46.34,;8.32,-46.74,;8.71,-48.22,;10.2,-48.61,;11.29,-47.52,;10.88,-46.03,;9.39,-45.64,;7.12,-38.57,;5.64,-38.98,;5.25,-40.47,;4.55,-37.9,;4.94,-36.4,;6.43,-36,;7.52,-37.09,;9.01,-36.69,)|
Structure:
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