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BioLiP

PDB CCD ID: ZMA
Number of entries in BioLiP: 31
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:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCc4ccc(cc4)O
ACDLabs 10.04n1n3c(nc(nc3nc1c2occc2)NCCc4ccc(O)cc4)N
CACTVS 3.341Nc1nc(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, 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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