BioLiP

PDB

BioLiP

PDB CCD ID:

RCN

Number of entries in BioLiP:

Chemical formula:

C8 H7 Cl N4

InChI:

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

InChIKey:

LLSXNXRQHHVPLS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c(cc1Cl)c2cn[nH]n2)N
CACTVS 3.385	Nc1ccc(Cl)cc1c2cn[nH]n2

Name:

4-chloranyl-2-(2~{H}-1,2,3-triazol-4-yl)aniline;
MMG-0363

ChEMBL:

CHEMBL4856775

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).