BioLiP

PDB

BioLiP

PDB CCD ID:

9AI

Number of entries in BioLiP:

Chemical formula:

C4 H7 N S

InChI:

InChI=1S/C4H7NS/c1-2-3-5-4-6/h2,4H,1,3H2,(H,5,6)

InChIKey:

PDIXEKZHQJNVMI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 1.7.6	C=CCNC=S
ACDLabs 12.01	S=CNC\C=C

Name:

N-prop-2-en-1-ylthioformamide

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).