BioLiP

PDB

BioLiP

PDB CCD ID:

P19

Number of entries in BioLiP:

Chemical formula:

C17 H14 N6

InChI:

InChI=1S/C17H14N6/c1-3-7-13(8-4-1)19-16-21-15-11-12-18-23(15)17(22-16)20-14-9-5-2-6-10-14/h1-12H,(H2,19,20,21,22)

InChIKey:

LLYYAUZAGCZEKV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	N(c1ccccc1)c2nc(Nc3ccccc3)n4nccc4n2
ACDLabs 10.04	n2c1ccnn1c(nc2Nc3ccccc3)Nc4ccccc4
OpenEye OEToolkits 1.5.0	c1ccc(cc1)Nc2nc3ccnn3c(n2)Nc4ccccc4

Name:

N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-2,4-DIAMINE

ChEMBL:

CHEMBL231095

DrugBank:

DB08340

ZINC:

ZINC000016052396

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).