BioLiP

PDB

BioLiP

PDB CCD ID:

D28

Number of entries in BioLiP:

Chemical formula:

C17 H13 F N2 O3 S

InChI:

InChI=1S/C17H13FN2O3S/c1-9-6-10(2-5-13(9)18)14-8-24-17(20-14)19-11-3-4-12(16(22)23)15(21)7-11/h2-8,21H,1H3,(H,19,20)(H,22,23)

InChIKey:

LKZZDHKJFDTYCH-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	Fc3ccc(c1nc(sc1)Nc2cc(O)c(C(=O)O)cc2)cc3C
OpenEye OEToolkits 1.5.0	Cc1cc(ccc1F)c2csc(n2)Nc3ccc(c(c3)O)C(=O)O
CACTVS 3.341	Cc1cc(ccc1F)c2csc(Nc3ccc(C(O)=O)c(O)c3)n2

Name:

4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid

ChEMBL:

CHEMBL258467

DrugBank:

DB07616

ZINC:

ZINC000000070745

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).