BioLiP

PDB

BioLiP

PDB CCD ID:

9WS

Number of entries in BioLiP:

Chemical formula:

C14 H10 Cl N3 O

InChI:

InChI=1S/C14H10ClN3O/c15-11-5-1-2-6-12(11)17-14(19)10-9-16-18-8-4-3-7-13(10)18/h1-9H,(H,17,19)

InChIKey:

CPQRFZBWMKEHSA-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c1(cnn2c1cccc2)C(Nc3c(Cl)cccc3)=O
OpenEye OEToolkits 2.0.6	c1ccc(c(c1)NC(=O)c2cnn3c2cccc3)Cl
CACTVS 3.385	Clc1ccccc1NC(=O)c2cnn3ccccc23

Name:

N-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide

ChEMBL:

CHEMBL1078785

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).