SEQ2FUN

BioLiP

PDB CCD ID: 207
Number of entries in BioLiP: 1
Chemical formula: C13 H18 N4 O
InChI: InChI=1S/C13H18N4O/c14-11-6-10-12(16-8-15-10)13(17-11)18-7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H2,14,17)(H,15,16)
InChIKey: VPUIDVRYMVIXGO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Nc1cc2[nH]cnc2c(OCC3CCCCC3)n1
ACDLabs 10.04n2c(cc1c(ncn1)c2OCC3CCCCC3)N
OpenEye OEToolkits 1.5.0c1c2c(c(nc1N)OCC3CCCCC3)nc[nH]2
Name:1-AMINO-6-CYCLOHEX-3-ENYLMETHYLOXYPURINE
DrugBank: DB02603
ZINC: ZINC000020149007
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).