BioLiP

PDB

BioLiP

PDB CCD ID:

7CZ

Number of entries in BioLiP:

Chemical formula:

C7 H6 O S

InChI:

InChI=1S/C7H6OS/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)

InChIKey:

DNBQDZRBEGFUEA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC1=CC=CC=CC1=S
OpenEye OEToolkits 2.0.6	C1=CC=C(C(=S)C=C1)O
ACDLabs 12.01	S=C1C=CC=CC=C1O

Name:

2-hydroxycyclohepta-2,4,6-triene-1-thione

ZINC:

ZINC000039246590

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).