SEQ2FUN

BioLiP

PDB CCD ID: L21
Number of entries in BioLiP: 1
Chemical formula: C10 H13 N5
InChI: InChI=1S/C10H13N5/c1-7(2)3-4-15-6-14-9(11)8-10(15)13-5-12-8/h3,5-6H,4,11H2,1-2H3
InChIKey: BEPGTHDUUROBHM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1CC(=CCn1cnc(c-2ncnc12)N)C
CACTVS 3.352CC(C)=CCn1cnc(N)c2ncnc12
ACDLabs 10.04N=1C2=C(N=CN(C2=NC=1)C\C=C(/C)C)N
Name:3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine
DrugBank: DB08074
ZINC: ZINC000000002209
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).