BioLiP

PDB

BioLiP

PDB CCD ID:

IS8

Number of entries in BioLiP:

Chemical formula:

C H N S

InChI:

InChI=1S/CHNS/c2-1-3/h2H

InChIKey:

GRHBQAYDJPGGLF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C(=N)=S
CACTVS 3.385	N=C=S

Name:

isothiocyanate

ChEMBL:

CHEMBL1161685

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).