BioLiP

PDB

BioLiP

PDB CCD ID:

RCQ

Number of entries in BioLiP:

Chemical formula:

C8 H7 Cl N4

InChI:

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

InChIKey:

YLZNCOGLABONRN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1ccc(Cl)cc1c2[nH]ncn2
OpenEye OEToolkits 2.0.7	c1cc(c(cc1Cl)c2[nH]ncn2)N

Name:

4-chloranyl-2-(1~{H}-1,2,4-triazol-5-yl)aniline;
MMG-0706

ChEMBL:

CHEMBL4871312

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).