BioLiP

PDB

BioLiP

PDB CCD ID:

5LA

Number of entries in BioLiP:

Chemical formula:

C7 H4 Cl N O2 S

InChI:

InChI=1S/C7H4ClNO2S/c8-5-2-3-1-4(7(10)11)9-6(3)12-5/h1-2,9H,(H,10,11)

InChIKey:

SOGNHUJSAKAIRG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	c1c2cc(sc2[nH]c1C(=O)O)Cl
CACTVS 3.385	OC(=O)c1[nH]c2sc(Cl)cc2c1

Name:

2-chloranyl-6~{H}-thieno[2,3-b]pyrrole-5-carboxylic acid

ZINC:

ZINC000038866729

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).