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BioLiP

PDB CCD ID: GV7
Number of entries in BioLiP: 1
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:
SoftwareSMILES
CACTVS 3.385Cc1cc(Nc2ccc(O)cc2)n3ncnc3n1
OpenEye OEToolkits 2.0.6Cc1cc(n2c(n1)ncn2)Nc3ccc(cc3)O
ACDLabs 12.01n12c(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, Peter L 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).

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