Ki Summary

Reaction Details

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Target

Fatty acid-binding protein, heart

Ligand

BDBM50468462

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1799514 (CHEMBL4271806)

700±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 Chem154:233-252 (2018) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Fatty acid-binding protein, heart

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:

MVDAFLGTWKLVDSKNFDDYMKSLGVGFATRQVASMTKPTTIIEKNGDILTLKTHSTFKN
TEISFKLGVEFDETTADDRKVKSIVTLDGGKLVHLQKWDGQETTLVRELIDGKLILTLTH
GTAVCTRTYEKEA

BDBM50468462

n/a

Name

BDBM50468462

Synonyms:

CHEMBL4287117 | US10968163, Compound 3g | US20230365488, Compound 1z

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)Oc1ccccc1-c1ccccc1)c1ccccc1 |r,wU:4.31,5.14,wD:3.2,6.7,(10.35,-31.48,;8.87,-31.08,;8.47,-29.59,;7.78,-32.17,;6.24,-32.17,;6.24,-33.71,;7.78,-33.71,;8.87,-34.8,;8.46,-36.29,;9.55,-37.37,;11.04,-36.98,;11.44,-35.48,;10.34,-34.4,;5.15,-34.8,;3.66,-34.4,;5.55,-36.29,;4.46,-37.37,;2.97,-36.97,;1.88,-38.06,;2.28,-39.55,;3.78,-39.94,;4.86,-38.85,;6.35,-39.24,;6.75,-40.73,;8.23,-41.12,;9.32,-40.03,;8.91,-38.54,;7.42,-38.15,;5.15,-31.08,;5.55,-29.6,;4.46,-28.51,;2.97,-28.91,;2.58,-30.41,;3.67,-31.49,)|

Structure