BioLiP

PDB

BioLiP

PDB CCD ID:

U4T

Number of entries in BioLiP:

Chemical formula:

C13 H10 O2 S

InChI:

InChI=1S/C13H10O2S/c14-13(15)11-7-9-6-5-8-3-1-2-4-10(8)12(9)16-11/h1-4,7H,5-6H2,(H,14,15)

InChIKey:

IGBRCZHGFVMFCR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc-2c(c1)CCc3c2sc(c3)C(=O)O
CACTVS 3.385	OC(=O)c1sc2c(CCc3ccccc23)c1

Name:

4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid;
4,5-Dihydronaphtho[1,2-b]thiophene-2-carboxylic acid;
4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid

ChEMBL:

CHEMBL1421818

ZINC:

ZINC000000069806

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).