BioLiP

PDB

BioLiP

PDB CCD ID:

IO4

Number of entries in BioLiP:

Chemical formula:

C19 H13 Cl N4 O

InChI:

InChI=1S/C19H13ClN4O/c20-18-10-15(8-9-21-18)22-19(25)14-6-7-16-11-17(23-24(16)12-14)13-4-2-1-3-5-13/h1-12H,(H,21,22,25)

InChIKey:

DPLIZFKHTDLAGO-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Clc1nccc(c1)NC(=O)c1cn2nc(cc2cc1)c1ccccc1
CACTVS 3.385	Clc1cc(NC(=O)c2ccc3cc(nn3c2)c4ccccc4)ccn1
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2cc3ccc(cn3n2)C(=O)Nc4ccnc(c4)Cl

Name:

(8S)-N-(2-chloropyridin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide

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).