SEQ2FUN

BioLiP

PDB CCD ID: N6G
Number of entries in BioLiP: 0
Chemical formula: C10 H15 N6 O7 P
InChI: InChI=1S/C10H15N6O7P/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,19,20,21)(H4,11,12,14,15)/t3-,5-,6-,9-/m1/s1
InChIKey: KQJMOJABMFAPCE-UUOKFMHZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N)N
CACTVS 3.341Nc1nc(N)c2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c2n1
ACDLabs 10.04O=P(O)(O)OCC3OC(n2cnc1c(nc(nc12)N)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc2c(nc(nc2n1C3C(C(C(O3)COP(=O)(O)O)O)O)N)N
CACTVS 3.341Nc1nc(N)c2ncn([C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O)c2n1
Name:((2R,3S,4R,5S)-5-(2,6-DIAMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHYL DIHYDROGEN PHOSPHATE
ChEMBL: CHEMBL1234595
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).