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BioLiP

PDB CCD ID: 1AP
Number of entries in BioLiP: 0
Chemical formula: C10 H15 N6 O6 P
InChI: InChI=1S/C10H15N6O6P/c11-8-7-9(15-10(12)14-8)16(3-13-7)6-1-4(17)5(22-6)2-21-23(18,19)20/h3-6,17H,1-2H2,(H2,18,19,20)(H4,11,12,14,15)/t4-,5+,6+/m0/s1
InChIKey: RZZBUMCFKOLHEH-KVQBGUIXSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Nc1nc(N)c2ncn([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)c2n1
CACTVS 3.341Nc1nc(N)c2ncn([C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3)c2n1
OpenEye OEToolkits 1.5.0c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N)N
OpenEye OEToolkits 1.5.0c1nc2c(nc(nc2n1C3CC(C(O3)COP(=O)(O)O)O)N)N
ACDLabs 10.04O=P(O)(O)OCC3OC(n2cnc1c(nc(nc12)N)N)CC3O
Name:2,6-DIAMINOPURINE NUCLEOTIDE
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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