BioLiP

PDB

BioLiP

PDB CCD ID:

6LV

Number of entries in BioLiP:

Chemical formula:

C18 H17 N5 O2

InChI:

InChI=1S/C18H17N5O2/c1-24-12-7-11(8-13(10-12)25-2)9-16-20-15-6-4-3-5-14(15)17-21-18(19)22-23(16)17/h3-8,10H,9H2,1-2H3,(H2,19,22)

InChIKey:

OOUWYRBLMZEUGI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	COc1cc(cc(c1)OC)Cc2nc3ccccc3c4n2nc(n4)N
CACTVS 3.385	COc1cc(Cc2nc3ccccc3c4nc(N)nn24)cc(OC)c1
ACDLabs 12.01	n1c(n3nc(nc3c2c1cccc2)N)Cc4cc(OC)cc(OC)c4

Name:

5-(3,5-dimethoxybenzyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine

ChEMBL:

CHEMBL3309981

ZINC:

ZINC000098208551

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).