BioLiP

PDB

BioLiP

PDB CCD ID:

V0Z

Number of entries in BioLiP:

Chemical formula:

C14 H13 N5 O2

InChI:

InChI=1S/C14H13N5O2/c1-8-11(7-16-12-6-13(20)18-19(8)12)14(21)17-10-4-2-9(15)3-5-10/h2-7H,15H2,1H3,(H,17,21)(H,18,20)

InChIKey:

DTFXMPJTNSKHJT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC1=C(C=NC2=CC(=O)NN12)C(=O)Nc3ccc(N)cc3
OpenEye OEToolkits 2.0.7	CC1=C(C=NC2=CC(=O)NN12)C(=O)Nc3ccc(cc3)N

Name:

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