SEQ2FUN

BioLiP

PDB CCD ID: A1A7Y
Number of entries in BioLiP: 1
Chemical formula: C10 H13 N5
InChI: InChI=1S/C10H13N5/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-7/h5-7H,1-4H2,(H2,11,12,13)
InChIKey: KTJWHJNBTXITCB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1nc(c2c(n1)n(cn2)C3CCCC3)N
CACTVS 3.385Nc1ncnc2n(cnc12)C3CCCC3
ACDLabs 14.52Nc1ncnc2c1ncn2C1CCCC1
Name:9-cyclopentyl-9H-purin-6-amine
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).