SEQ2FUN

BioLiP

PDB CCD ID: F3O
Number of entries in BioLiP: 0
Chemical formula: C19 H23 N6 O8 P
InChI: InChI=1S/C19H23N6O8P/c20-11(6-10-4-2-1-3-5-10)19(27)33-15-12(7-31-34(28,29)30)32-18(14(15)26)25-9-24-13-16(21)22-8-23-17(13)25/h1-5,8-9,11-12,14-15,18,26H,6-7,20H2,(H2,21,22,23)(H2,28,29,30)/t11-,12+,14+,15+,18+/m0/s1
InChIKey: DITNEQHUTYSTHA-URQYDQELSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)C[C@@H](C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N
ACDLabs 12.01O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)N)C(O)C4OC(=O)C(N)Cc3ccccc3
CACTVS 3.385N[CH](Cc1ccccc1)C(=O)O[CH]2[CH](O)[CH](O[CH]2CO[P](O)(O)=O)n3cnc4c(N)ncnc34
CACTVS 3.385N[C@@H](Cc1ccccc1)C(=O)O[C@H]2[C@@H](O)[C@@H](O[C@@H]2CO[P](O)(O)=O)n3cnc4c(N)ncnc34
OpenEye OEToolkits 1.7.6c1ccc(cc1)CC(C(=O)OC2C(OC(C2O)n3cnc4c3ncnc4N)COP(=O)(O)O)N
Name:3'-O-L-phenylalanyladenosine 5'-(dihydrogen phosphate)
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).