BioLiP

PDB

BioLiP

PDB CCD ID:

ZMA

Number of entries in BioLiP:

Chemical formula:

C16 H15 N7 O2

InChI:

InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)

InChIKey:

PWTBZOIUWZOPFT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCc4ccc(cc4)O
ACDLabs 10.04	n1n3c(nc(nc3nc1c2occc2)NCCc4ccc(O)cc4)N
CACTVS 3.341	Nc1nc(NCCc2ccc(O)cc2)nc3nc(nn13)c4occc4

Name:

4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol

ChEMBL:

CHEMBL113142

DrugBank:

DB08770

ZINC:

ZINC000000005258

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).