BioLiP

PDB

BioLiP

PDB CCD ID:

J9F

Number of entries in BioLiP:

Chemical formula:

C10 H9 N O3 S

InChI:

InChI=1S/C10H9NO3S/c12-8-4-2-1-3-6(8)9-11-7(5-15-9)10(13)14/h1-4,7,12H,5H2,(H,13,14)/t7-/m1/s1

InChIKey:

CECDPVOEINSAQG-SSDOTTSWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)C2=NC(CS2)C(=O)O)O
CACTVS 3.385	OC(=O)[CH]1CSC(=N1)c2ccccc2O
CACTVS 3.385	OC(=O)[C@H]1CSC(=N1)c2ccccc2O
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)C2=N[C@H](CS2)C(=O)O)O

Name:

(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

ChEMBL:

CHEMBL276228

ZINC:

ZINC000084428709

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).