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BioLiP

PDB CCD ID: 5FD
Number of entries in BioLiP: 24
Chemical formula: C10 H12 F N5 O3
InChI: InChI=1S/C10H12FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1
InChIKey: QPVLKMICBYRPSX-KQYNXXCUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CF)O)O)N
ACDLabs 12.01Nc1ncnc2c1ncn2C1OC(CF)C(O)C1O
OpenEye OEToolkits 2.0.7c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CF)O)O)N
CACTVS 3.385Nc1ncnc2n(cnc12)[CH]3O[CH](CF)[CH](O)[CH]3O
CACTVS 3.385Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CF)[C@@H](O)[C@H]3O
Name:5'-FLUORO-5'-DEOXYADENOSINE
ChEMBL: CHEMBL1212979
DrugBank: DB03716
ZINC: ZINC000005941240
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)(download the PDF file).
  • 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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