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Target
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase
Ligand
BDBM65495
Substrate
BDBM65498
Meas. Tech.
NAD glycohydrolase assay
pH
7.4±0
Temperature
310.15±0 K
IC50
69000±4000 nM
Citation
 Muller-Steffner, H; Jacques, SA; Kuhn, I; Schultz, MD; Botta, D; Osswald, P; Maechling, C; Lund, FE; Kellenberger, E Efficient Inhibition of SmNACE by Coordination Complexes Is Abolished by S. mansoni Sequestration of Metal. ACS Chem Biol 12:1787-1795 (2017) [PubMed]  Article 
Target
Name:
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase
Synonyms:
SARC | SmNACE
Type:
Protein
Mol. Mass.:
34762.95
Organism:
Schistosoma mansoni
Description:
Q32TF5
Residue:
303
Sequence:
MMNVILFLTLSNIFVFNSAQHQINLLSEIVQSRCTQWKVEHGATNISCSEIWNSFESILLSTHTKSACVMKSGLFDDFVYQLFELEQQQQQRHHTIQTEQYFHSQVMNIIRGMCKRLGVCRSLETTFPGYLFDELNWCNGSLTGNTKYGTVCGCDYKSNVVHAFWQSASAEYARRASGNIFVVLNGSVKAPFNENKTFGKIELPLLKHPRVQQLTVKLVHSLEDVNNRQTCESWSLQELANKLNSVHIPFRCIDDPLEFRHYQCIENPGKQLCQFSASTRSNVETLLILFPLVICLTFYTSMN
  
Inhibitor
Name:
BDBM65495
Synonyms:
SmNACE inhibitor, 1
Type:
Small organic molecule
Emp. Form.:
C13H12N2O4
Mol. Mass.:
260.2454
SMILES:
Cc1occc1C(=O)N\N=C\c1ccc(O)c(O)c1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM65498
Synonyms:
1,N6-ETHENO NAD | 1,N6-ETHENONICOTINAMIDE ADENINE DINUCLEOTIDE | NICOTINAMIDE 1,N6-ETHENOADENINE DINUCLEOTIDE
Type:
Small organic molecule
Emp. Form.:
C23H27N7O14P2
Mol. Mass.:
687.4465
SMILES:
NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2ncn2ccnc32)[C@@H](O)[C@H]1O |r|
Structure:
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