BioLiP

PDB

BioLiP

PDB CCD ID:

A1I8B

Number of entries in BioLiP:

Chemical formula:

C10 H7 Cl N4

InChI:

InChI=1S/C10H7ClN4/c11-7-5-13-10-6(1-3-12-10)9(7)8-2-4-14-15-8/h1-5H,(H,12,13)(H,14,15)

InChIKey:

PICMQXAHVSQYFM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c[nH]c2c1c(c(cn2)Cl)c3ccn[nH]3
CACTVS 3.385	Clc1cnc2[nH]ccc2c1c3[nH]ncc3

Name:

5-chloranyl-4-(1~{H}-pyrazol-5-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).