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BioLiP

PDB CCD ID: WY7
Number of entries in BioLiP: 1
Chemical formula: C13 H10 N6 O2
InChI: InChI=1S/C13H10N6O2/c14-12-11-13(16-6-15-11)19(7-17-12)5-8-4-10(21-18-8)9-2-1-3-20-9/h1-4,6-7H,5,14H2
InChIKey: VMYKOOSLEPKKOO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(oc1)c2cc(no2)Cn3cnc(c-4ncnc34)N
CACTVS 3.385Nc1ncn(Cc2cc(on2)c3occc3)c4ncnc14
ACDLabs 12.01c4(CN2C=NC(=C1N=CN=C12)N)cc(c3ccco3)on4
Name:3-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl}-3H-purin-6-amine
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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