BioLiP

PDB

BioLiP

PDB CCD ID:

YGG

Number of entries in BioLiP:

Chemical formula:

C10 H11 N3 S

InChI:

InChI=1S/C10H11N3S/c1-2-4-9(5-3-1)6-7-14-10-8-11-13-12-10/h1-5,8H,6-7H2,(H,11,12,13)

InChIKey:

VBWBLNPQHDWYMJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C(Cc1ccccc1)Sc2[nH]nnc2
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CCSc2cnn[nH]2
ACDLabs 12.01	C(CSc1cnn[NH]1)c1ccccc1

Name:

5-[(2-phenylethyl)sulfanyl]-1H-1,2,3-triazole

ZINC:

ZINC000097012132

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).