BioLiP

PDB

BioLiP

PDB CCD ID:

A1EMF

Number of entries in BioLiP:

Chemical formula:

C11 H11 N3 S

InChI:

InChI=1S/C11H11N3S/c1-2-8-15-11-12-10(13-14-11)9-6-4-3-5-7-9/h2-7H,1,8H2,(H,12,13,14)

InChIKey:

TWQFNUXVXFMLPV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	C=CCSc1[nH]c(nn1)c2ccccc2

Name:

3-phenyl-5-prop-2-enylsulfanyl-4~{H}-1,2,4-triazole

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).