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Target
Fatty acid-binding protein 5
Ligand
BDBM50468438
Substrate
n/a
Meas. Tech.
ChEMBL_1799515 (CHEMBL4271807)
Ki
2420±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:
BDBM50468438
Synonyms:
CHEMBL4282959 | US10968163, Compound 3c
Type:
Small organic molecule
Emp. Form.:
C25H21FO4
Mol. Mass.:
404.4302
SMILES:
OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OCc1ccc(F)cc1)c1ccccc1 |r,wU:4.26,5.14,wD:3.2,6.7,(43.56,-20.06,;42.07,-19.66,;41.67,-18.17,;40.98,-20.75,;39.44,-20.75,;39.44,-22.29,;40.98,-22.29,;42.07,-23.38,;41.67,-24.87,;42.75,-25.96,;44.24,-25.56,;44.64,-24.06,;43.55,-22.98,;38.35,-23.38,;36.86,-22.98,;38.75,-24.87,;37.66,-25.96,;36.17,-25.56,;35.78,-24.07,;34.29,-23.67,;33.2,-24.76,;31.71,-24.36,;33.61,-26.25,;35.09,-26.64,;38.35,-19.66,;38.75,-18.18,;37.67,-17.09,;36.18,-17.49,;35.78,-18.99,;36.87,-20.07,)|
Structure:
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