BioLiP

PDB

BioLiP

PDB CCD ID:

A1I8A

Number of entries in BioLiP:

Chemical formula:

C11 H8 Cl N3

InChI:

InChI=1S/C11H8ClN3/c12-8-6-15-11-7(3-5-14-11)10(8)9-2-1-4-13-9/h1-6,13H,(H,14,15)

InChIKey:

KMLIIVCUTYVRRH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1cnc2[nH]ccc2c1c3[nH]ccc3
OpenEye OEToolkits 2.0.7	c1cc([nH]c1)c2c3cc[nH]c3ncc2Cl

Name:

5-chloranyl-4-(1~{H}-pyrrol-2-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).