Ligand |
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Ligand Name: CZ-27 | ||
Ligand Type: saccharide | ||
Ligand ID: COVPDB120 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CCCCOP(O)(=O)OC[C@@H]1O[C@H]([C@H](F)[C@H]1O)[n+]1cccc(c1)C(N)=O | ||
Standard InChI: InChI=1S/C15H22FN2O7P/c1-2-3-7-23-26(21,22)24-9-11-13(19)12(16)15(25-11)18-6-4-5-10(8-18)14(17)20/h4-6,8,11-13,15,19H,2-3,7,9H2,1H3,(H2-,17,20,21,22)/p+1/t11-,12+,13-,15+/m0/s1 | ||
Molecular Formula: C15H23FN2O7P+ | Mol. Weight: 393.12213 | logP: 0.6031 |
HBD: 3 | HBA: 6 | |
#Rotatable Bonds: 9 | TPSA: 132.19 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | P28907 (CD38_HUMAN) | Homo sapiens (Human) | 3ROK | 27C |
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