SEQ2FUN

BioLiP

PDB CCD ID: A1CCU
Number of entries in BioLiP: 2
Chemical formula: C16 H24 F N5 O14 P2
InChI: InChI=1S/C16H24FN5O14P2/c1-4-8(23)10(25)6(17)15(33-4)35-38(30,31)36-37(28,29)32-2-5-9(24)11(26)14(34-5)22-3-19-7-12(22)20-16(18)21-13(7)27/h3-6,8-11,14-15,23-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,18,20,21,27)/t4-,5+,6-,8+,9+,10-,11+,14+,15+/m0/s1
InChIKey: RSJPWQHAVIFEFF-ONNJJMSASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)F)O)O
CACTVS 3.385C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N)[CH](F)[CH](O)[CH]1O
CACTVS 3.385C[C@@H]1O[C@H](O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4C(=O)NC(=Nc34)N)[C@@H](F)[C@H](O)[C@@H]1O
OpenEye OEToolkits 3.1.0.0CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O)F)O)O
ACDLabs 14.52NC1=Nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OC3OC(C)C(O)C(O)C3F)C(O)C2O)C(=O)N1
Name:GDP-2-deoxy-2-fluoro-beta-L-fucose
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).