BioLiP

PDB

BioLiP

PDB CCD ID:

WZ8

Number of entries in BioLiP:

Chemical formula:

C23 H28 N8 O

InChI:

InChI=1S/C23H28N8O/c1-16(2)19-15-27-31-21(19)28-23(32-18-8-5-10-24-14-18)29-22(31)25-13-17-7-3-4-9-20(17)30-12-6-11-26-30/h3-4,6-7,9,11-12,15-16,18,24H,5,8,10,13-14H2,1-2H3,(H,25,28,29)/t18-/m1/s1

InChIKey:

LSGRZENCFIIHNV-GOSISDBHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)c1cnn2c1nc(nc2NCc3ccccc3n4cccn4)O[C@@H]5CCCNC5
CACTVS 3.385	CC(C)c1cnn2c(NCc3ccccc3n4cccn4)nc(O[CH]5CCCNC5)nc12
CACTVS 3.385	CC(C)c1cnn2c(NCc3ccccc3n4cccn4)nc(O[C@@H]5CCCNC5)nc12
OpenEye OEToolkits 2.0.7	CC(C)c1cnn2c1nc(nc2NCc3ccccc3n4cccn4)OC5CCCNC5

Name:

2-[(3R)-piperidin-3-yl]oxy-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine

ZINC:

ZINC000206084185

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).