Ligand |
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Ligand Name: ara-2′F-NAD+ | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB510 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: NC(=O)c1cc[n+](cc1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@@H]1F | ||
Standard InChI: InChI=1S/C21H26FN7O13P2/c22-12-14(30)10(40-20(12)28-3-1-9(2-4-28)18(24)33)5-38-43(34,35)42-44(36,37)39-6-11-15(31)16(32)21(41-11)29-8-27-13-17(23)25-7-26-19(13)29/h1-4,7-8,10-12,14-16,20-21,30-32H,5-6H2,(H5-,23,24,25,26,33,34,35,36,37)/p+1/t10-,11-,12+,14-,15-,16-,20-,21-/m1/s1 | ||
Molecular Formula: C21H27FN7O13P2+ | Mol. Weight: 666.11206 | logP: -2.0387 |
HBD: 7 | HBA: 16 | |
#Rotatable Bonds: 11 | TPSA: 298.03 |
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 | P29241 (NADA_APLCA) | Aplysia californica (California sea hare) | 3ZWW | AVU |
- |
- |
SHOW |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase | P29241 (NADA_APLCA) | Aplysia californica (California sea hare) | 3ZWV | AVU |
- |
- |
SHOW |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase | P29241 (NADA_APLCA) | Aplysia californica (California sea hare) | 3ZWP | AVU |
- |
- |
SHOW |
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | P28907 (CD38_HUMAN) | Homo sapiens (Human) | 3I9M | AVU |
- |
- |
SHOW |