Reaction Details Report a problem with these data
Target
Fatty acid-binding protein, heart
Ligand
BDBM50468463
Substrate
n/a
Meas. Tech.
High Throughput Fluorescence Displacement Assay
Ki
160±n/a nM
Citation
 Ojima, I; Deutsch, D; Kaczocha, M; Hu, K; Tong, S; Elmes, M; Yan, S Alpha-truxillic acid derivatives and pharmaceutical compositions thereof US Patent  US10968163 Publication Date 4/6/2021 
Target
Name:
Fatty acid-binding protein, heart
Synonyms:
FABP11 | FABP3 | FABPH_HUMAN | Fatty acid binding protein muscle | MDGI
Type:
PROTEIN
Mol. Mass.:
14858.36
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1463784
Residue:
133
Sequence:
MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKNTEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTHGTAVCTRTYEKEA
  
Inhibitor
Name:
BDBM50468463
Synonyms:
CHEMBL4290535 | US10968163, Compound 3i
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)Oc1ccc(cc1)-c1ccccc1)c1ccccc1 |r,wU:4.31,5.14,wD:3.2,6.7,(47.28,-32.35,;45.8,-31.95,;45.4,-30.46,;44.71,-33.04,;43.17,-33.04,;43.17,-34.58,;44.71,-34.58,;45.8,-35.67,;45.39,-37.16,;46.48,-38.25,;47.97,-37.85,;48.36,-36.35,;47.27,-35.27,;42.08,-35.67,;40.59,-35.27,;42.48,-37.16,;41.39,-38.25,;39.9,-37.84,;38.81,-38.93,;39.21,-40.42,;40.71,-40.81,;41.79,-39.72,;38.12,-41.51,;36.64,-41.1,;35.55,-42.19,;35.95,-43.68,;37.45,-44.07,;38.53,-42.98,;42.08,-31.95,;42.48,-30.47,;41.39,-29.38,;39.9,-29.78,;39.51,-31.28,;40.6,-32.36,)|
Structure:
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