BioLiP

PDB

BioLiP

PDB CCD ID:

GV7

Number of entries in BioLiP:

Chemical formula:

C12 H11 N5 O

InChI:

InChI=1S/C12H11N5O/c1-8-6-11(17-12(15-8)13-7-14-17)16-9-2-4-10(18)5-3-9/h2-7,16,18H,1H3

InChIKey:

QHEXWJVMHICYCY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cc(Nc2ccc(O)cc2)n3ncnc3n1
OpenEye OEToolkits 2.0.6	Cc1cc(n2c(n1)ncn2)Nc3ccc(cc3)O
ACDLabs 12.01	n12c(cc(C)nc1ncn2)Nc3ccc(O)cc3

Name:

4-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenol

ZINC:

ZINC000001243299

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).