BioLiP

PDB

BioLiP

PDB CCD ID:

A1I8M

Number of entries in BioLiP:

Chemical formula:

C9 H6 Cl N5

InChI:

InChI=1S/C9H6ClN5/c10-6-3-12-9-5(1-2-11-9)8(6)7-4-13-15-14-7/h1-4H,(H,11,12)(H,13,14,15)

InChIKey:

YUIHMYKCTNUMCI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c[nH]c2c1c(c(cn2)Cl)c3c[nH]nn3
CACTVS 3.385	Clc1cnc2[nH]ccc2c1c3c[nH]nn3

Name:

5-chloranyl-4-(1~{H}-1,2,3-triazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine

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).