BioLiP

PDB

BioLiP

PDB CCD ID:

J41

Number of entries in BioLiP:

Chemical formula:

C19 H15 N3 O

InChI:

InChI=1S/C19H15N3O/c1-13-12-16(23)22-19(20-13)17(14-8-4-2-5-9-14)18(21-22)15-10-6-3-7-11-15/h2-12,20H,1H3

InChIKey:

BMPPFRFXVLJIEW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC1=CC(=O)n2c(c(c(n2)c3ccccc3)c4ccccc4)N1
ACDLabs 12.01	c4cccc(c3c1n(C(C=C(N1)C)=O)nc3c2ccccc2)c4
CACTVS 3.385	CC1=CC(=O)n2nc(c3ccccc3)c(c4ccccc4)c2N1

Name:

5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one

ChEMBL:

CHEMBL4859703

ZINC:

ZINC000002497535

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).