SEQ2FUN

BioLiP

PDB CCD ID: Q88
Number of entries in BioLiP: 4
Chemical formula: C5 H6 N6
InChI: InChI=1S/C5H6N6/c6-3-2-4(9-1-8-3)11-5(7)10-2/h1H,(H5,6,7,8,9,10,11)
InChIKey: PFUVOLUPRFCPMN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Nc1[nH]c2ncnc(N)c2n1
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)[nH]c(n2)N)N
ACDLabs 12.01n1c(c2nc(N)nc2nc1)N
Name:9H-purine-6,8-diamine;
8-aminoadenine
ChEMBL: CHEMBL565451
ZINC: ZINC000004367295
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).