Ki Summary

Reaction Details

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Target

Fatty acid-binding protein, brain

Ligand

BDBM50468439

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1799516 (CHEMBL4271808)

1030±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

BDBM50468439

n/a

Name

BDBM50468439

Synonyms:

CHEMBL4293382 | US10968163, Compound 3p

Type

Small organic molecule

Emp. Form.

C30H22O4

Mol. Mass.

446.4933

SMILES

OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1cccc2c(cccc12)C#C)c1ccccc1 |r,wU:4.31,5.14,wD:3.2,6.7,(32.43,-5.23,;30.94,-4.83,;30.54,-3.34,;29.85,-5.92,;28.31,-5.92,;28.31,-7.46,;29.85,-7.46,;30.94,-8.55,;30.54,-10.04,;31.62,-11.12,;33.11,-10.73,;33.51,-9.23,;32.42,-8.15,;27.22,-8.55,;25.73,-8.15,;27.62,-10.04,;26.53,-11.12,;26.94,-12.61,;25.84,-13.69,;24.35,-13.29,;23.96,-11.8,;22.49,-11.4,;22.1,-9.93,;23.19,-8.85,;24.66,-9.25,;25.05,-10.73,;21.4,-12.49,;20.31,-13.58,;27.22,-4.83,;27.62,-3.35,;26.54,-2.26,;25.05,-2.66,;24.65,-4.16,;25.74,-5.24,)|

Structure