Ligand

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Ligand Name:   SINEFUNGIN
HET ID:   SFG PubChem:   65482
DrugBank:   DB01910 ChEMBL:   CHEMBL1214186
Canonical SMILES:   N[C@H](C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)CC[C@@H](C(=O)O)N
Standard InChI:   InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
Molecular Formula:   C15H23N7O5 Mol. Weight:   381.38702 Heavy Atoms:   27
Charge:   0 Is Chiral:   True logP:   -0.081
HBD:   6 HBA:   12 TPSA:   208.65
#Bonds:   35 #Rotatable Bonds:   7 Shape Complexity:   0.6
Stereocomplexity:   0.4
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
OxaC A0A1B2TT09 (A0A1B2TT09_PENOX) Penicillium oxalicum 5W7S
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