BioLiP

PDB

BioLiP

PDB CCD ID:

IWN

Number of entries in BioLiP:

Chemical formula:

C19 H18 N6 O2

InChI:

InChI=1S/C19H18N6O2/c1-24-17(14(11-20-24)12-27-2)19(26)21-15-8-9-25-16(10-15)22-18(23-25)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,21,26)

InChIKey:

XEUXRKFQXNOHIM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cn1c(c(cn1)COC)C(=O)Nc2ccn3c(c2)nc(n3)c4ccccc4
CACTVS 3.385	COCc1cnn(C)c1C(=O)Nc2ccn3nc(nc3c2)c4ccccc4
ACDLabs 12.01	COCc1cnn(C)c1C(=O)Nc1ccn2nc(nc2c1)c1ccccc1

Name:

4-(methoxymethyl)-1-methyl-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-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).