Ligand
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
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-
SHOW
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase P29241 (NADA_APLCA) Aplysia californica (California sea hare) 3ZWV AVU
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-
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
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-
SHOW