BioLiP

PDB

BioLiP

PDB CCD ID:

15V

Number of entries in BioLiP:

Chemical formula:

C17 H13 Cl N6 O

InChI:

InChI=1S/C17H13ClN6O/c1-11-8-15(24(22-11)13-5-2-4-12(18)9-13)21-17(25)14-10-20-23-7-3-6-19-16(14)23/h2-10H,1H3,(H,21,25)

InChIKey:

YLBXBHSEZZNJPX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	Cc1cc(n(n1)c2cccc(c2)Cl)NC(=O)c3cnn4c3nccc4
ACDLabs 12.01	Clc1cccc(c1)n2nc(cc2NC(=O)c3c4ncccn4nc3)C
CACTVS 3.370	Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)c4cccc(Cl)c4

Name:

N-[1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

ChEMBL:

CHEMBL2178806

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).