Ki Summary

Reaction Details

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Target

Fatty acid-binding protein, brain

Ligand

BDBM50468451

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1799522 (CHEMBL4271814)

400±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

BDBM50468451

n/a

Name

BDBM50468451

Synonyms:

CHEMBL4292072

Type

Small organic molecule

Emp. Form.

C28H22O4

Mol. Mass.

422.4719

SMILES

OC(=O)C1C(C(C1c1ccccc1)C(=O)Oc1cccc2ccccc12)c1ccccc1 |(58.35,-5.13,;56.86,-4.73,;56.46,-3.24,;55.77,-5.82,;54.23,-5.82,;54.23,-7.36,;55.77,-7.36,;56.86,-8.45,;56.46,-9.94,;57.54,-11.02,;59.03,-10.63,;59.43,-9.13,;58.34,-8.05,;53.14,-8.45,;53.54,-9.93,;51.65,-8.05,;50.56,-9.14,;49.08,-8.74,;47.99,-9.82,;48.39,-11.31,;49.89,-11.7,;50.29,-13.18,;51.77,-13.57,;52.85,-12.47,;52.44,-11.01,;50.97,-10.62,;53.14,-4.73,;53.54,-3.25,;52.46,-2.16,;50.97,-2.56,;50.57,-4.05,;51.66,-5.14,)|

Structure