BioLiP

PDB

BioLiP

PDB CCD ID:

4GD

Number of entries in BioLiP:

Chemical formula:

C17 H14 N6 O

InChI:

InChI=1S/C17H14N6O/c1-12-10-15(23(21-12)13-6-3-2-4-7-13)20-17(24)14-11-19-22-9-5-8-18-16(14)22/h2-11H,1H3,(H,20,24)

InChIKey:

MCBSZIDQUDBWTG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	Cc1cc(n(n1)c2ccccc2)NC(=O)c3cnn4c3nccc4
CACTVS 3.385	Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)c4ccccc4
ACDLabs 12.01	N(c1n(nc(c1)C)c2ccccc2)C(=O)c3cnn4c3nccc4

Name:

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

ChEMBL:

CHEMBL1439445

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).