Ki Summary

Reaction Details

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Target

Fatty acid-binding protein, heart

Ligand

BDBM50468452

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1799514 (CHEMBL4271806)

1180±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

BDBM50468452

n/a

Name

BDBM50468452

Synonyms:

CHEMBL4283759 | US10968163, Compound 3e

Type

Small organic molecule

Emp. Form.

C24H19IO4

Mol. Mass.

498.3097

SMILES

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1ccccc1I)c1ccccc1 |r,wU:4.25,5.14,wD:3.2,6.7,(72.92,-19.81,;71.43,-19.41,;71.03,-17.93,;70.34,-20.5,;68.8,-20.5,;68.8,-22.04,;70.34,-22.04,;71.43,-23.13,;71.03,-24.62,;72.11,-25.71,;73.6,-25.31,;74,-23.81,;72.91,-22.73,;67.71,-23.13,;66.22,-22.73,;68.11,-24.62,;67.02,-25.71,;67.42,-27.18,;66.34,-28.27,;64.85,-27.88,;64.45,-26.39,;65.54,-25.3,;65.14,-23.81,;67.71,-19.41,;68.11,-17.93,;67.03,-16.84,;65.54,-17.24,;65.14,-18.74,;66.23,-19.82,)|

Structure