BioLiP

PDB

BioLiP

PDB CCD ID:

NRX

Number of entries in BioLiP:

Chemical formula:

C15 H12 Cl N3 O

InChI:

InChI=1S/C15H12ClN3O/c16-12-5-3-4-11(8-12)9-14(20)18-15-13-6-1-2-7-19(13)10-17-15/h1-8,10H,9H2,(H,18,20)

InChIKey:

SDPLNJUUYIUIPZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1cccc(CC(=O)Nc2ncn3ccccc23)c1
OpenEye OEToolkits 2.0.7	c1ccn2cnc(c2c1)NC(=O)Cc3cccc(c3)Cl
ACDLabs 12.01	Clc1cccc(c1)CC(=O)Nc1ncn2ccccc12

Name:

2-(3-chlorophenyl)-N-[(4S)-imidazo[1,5-a]pyridin-1-yl]acetamide

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).