Ki Summary

Reaction Details

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Target

Fatty acid-binding protein, brain

Ligand

BDBM50468475

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1799516 (CHEMBL4271808)

540±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, brain

Name:

Fatty acid-binding protein, brain

Synonyms:

Type:

PROTEIN

Mol. Mass.:

14886.73

Organism:

Homo sapiens

Description:

ChEMBL_116822

Residue:

132

Sequence:

MVEAFCATWKLTNSQNFDEYMKALGVGFATRQVGNVTKPTVIISQEGDKVVIRTLSTFKN
TEISFQLGEEFDETTADDRNCKSVVSLDGDKLVHIQKWDGKETNFVREIKDGKMVMTLTF
GDVVAVRHYEKA

BDBM50468475

n/a

Name

BDBM50468475

Synonyms:

CHEMBL4279887 | US10968163, Compound 3j

Type

Small organic molecule

Emp. Form.

C30H24O5

Mol. Mass.

464.5086

SMILES

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1ccccc1-c1ccccc1O)c1ccccc1 |r,wU:4.32,5.14,wD:3.2,6.7,(59.49,-31.47,;58.01,-31.07,;57.61,-29.58,;56.92,-32.16,;55.38,-32.16,;55.38,-33.7,;56.92,-33.7,;58.01,-34.79,;57.6,-36.28,;58.69,-37.37,;60.18,-36.97,;60.58,-35.47,;59.48,-34.39,;54.29,-34.79,;52.8,-34.39,;54.69,-36.28,;53.6,-37.37,;52.11,-36.96,;51.02,-38.05,;51.42,-39.54,;52.92,-39.93,;54,-38.84,;55.49,-39.24,;56.56,-38.14,;58.05,-38.53,;58.46,-40.02,;57.37,-41.11,;55.89,-40.72,;54.8,-41.81,;54.29,-31.07,;54.69,-29.59,;53.6,-28.5,;52.11,-28.9,;51.72,-30.4,;52.81,-31.48,)|

Structure