BioLiP

PDB

BioLiP

PDB CCD ID:

PKD

Number of entries in BioLiP:

Chemical formula:

C11 H10 Cl N O3 S

InChI:

InChI=1S/C11H10ClNO3S/c12-8-3-1-7(2-4-8)10(14)13-6-17-5-9(13)11(15)16/h1-4,9H,5-6H2,(H,15,16)/t9-/m1/s1

InChIKey:

SUAAPVQQVPKSHG-SECBINFHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(ccc1C(=O)N2CSC[C@@H]2C(=O)O)Cl
CACTVS 3.385	OC(=O)[CH]1CSCN1C(=O)c2ccc(Cl)cc2
ACDLabs 12.01	C(C1CSCN1C(c2ccc(cc2)Cl)=O)(O)=O
OpenEye OEToolkits 2.0.6	c1cc(ccc1C(=O)N2CSCC2C(=O)O)Cl
CACTVS 3.385	OC(=O)[C@H]1CSCN1C(=O)c2ccc(Cl)cc2

Name:

(4S)-3-(4-chlorobenzene-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid

ZINC:

ZINC000005894238

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).