BioLiP

PDB

BioLiP

PDB CCD ID:

0FI

Number of entries in BioLiP:

Chemical formula:

C7 H7 N S

InChI:

InChI=1S/C7H7NS/c9-6-8-7-4-2-1-3-5-7/h1-6H,(H,8,9)

InChIKey:

UNRRVOATHRPYDX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1ccc(cc1)NC=S
ACDLabs 12.01 CACTVS 3.370	S=CNc1ccccc1

Name:

N-phenylthioformamide;
PHENYL ISOTHIOCYANATE, bound form

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).