BioLiP

PDB

BioLiP

PDB CCD ID:

UX5

Number of entries in BioLiP:

Chemical formula:

C15 H15 N5 O2

InChI:

InChI=1S/C15H15N5O2/c1-9-12(8-17-13-6-14(21)19-20(9)13)15(22)18-7-10-2-4-11(16)5-3-10/h2-6,8H,7,16H2,1H3,(H,18,22)(H,19,21)

InChIKey:

KOARMAYNUOYQCO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1=C(C=NC2=CC(=O)NN12)C(=O)NCc3ccc(cc3)N
CACTVS 3.385	CC1=C(C=NC2=CC(=O)NN12)C(=O)NCc3ccc(N)cc3

Name:

N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide;
~{N}-[(4-aminophenyl)methyl]-7-methyl-2-oxidanylidene-1,6-dihydropyrazolo[1,5-a]pyrimidine-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).