Ki Summary

Reaction Details

Report a problem with these data

Target

Fatty acid-binding protein, brain

Ligand

BDBM50468476

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1799516 (CHEMBL4271808)

1590±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

BDBM50468476

n/a

Name

BDBM50468476

Synonyms:

CHEMBL4292332

Type

Small organic molecule

Emp. Form.

C20H17F3O4

Mol. Mass.

378.3418

SMILES

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)OCC(F)(F)F)c1ccccc1 |r,wU:4.22,5.14,wD:3.2,6.7,(66.18,-48.02,;64.69,-47.62,;64.3,-46.14,;63.61,-48.71,;62.07,-48.71,;62.07,-50.25,;63.61,-50.25,;64.69,-51.34,;64.29,-52.83,;65.38,-53.92,;66.87,-53.52,;67.26,-52.02,;66.17,-50.94,;60.98,-51.34,;59.49,-50.94,;61.38,-52.83,;60.29,-53.92,;58.8,-53.52,;57.71,-54.61,;58.4,-52.03,;57.3,-53.11,;60.98,-47.62,;61.38,-46.14,;60.29,-45.05,;58.8,-45.45,;58.41,-46.95,;59.5,-48.03,)|

Structure