BioLiP

PDB

BioLiP

PDB CCD ID:

C82

Number of entries in BioLiP:

Chemical formula:

C8 H7 Cl N4

InChI:

InChI=1S/C8H7ClN4/c9-6-1-3-7(4-2-6)11-8-5-10-13-12-8/h1-5H,(H2,10,11,12,13)

InChIKey:

IUTZKZLVPUPHDA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(ccc1Nc2cnn[nH]2)Cl
CACTVS 3.385	Clc1ccc(Nc2[nH]nnc2)cc1

Name:

~{N}-(4-chlorophenyl)-1~{H}-1,2,3-triazol-5-amine

ChEMBL:

CHEMBL4443463

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).