Ligand

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Ligand Name:   GUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE
HET ID:   GFB PubChem:   10918995, 135398655
DrugBank:   - ChEMBL:   CHEMBL1229250
Canonical SMILES:   O[C@@H]1[C@@H](CO[P@](=O)(O[P@](=O)(O[C@H]2O[C@@H](C)[C@H]([C@H]([C@@H]2O)O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1nc(N)[nH]c2=O
Standard InChI:   InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,7+,8+,9+,10+,11-,14+,15+/m0/s1
Molecular Formula:   C16H25N5O15P2 Mol. Weight:   589.34174 Heavy Atoms:   38
Charge:   0 Is Chiral:   True logP:   -3.0197
HBD:   9 HBA:   19 TPSA:   331.11
#Bonds:   51 #Rotatable Bonds:   8 Shape Complexity:   0.6875
Stereocomplexity:   0.6875
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
GDP-mannose 4,6 dehydratase O60547 (GMDS_HUMAN) Homo sapiens 5IN5 Kd : 35000.0 nM Binding MOAD SHOW