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Target
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase [1-303]
Ligand
BDBM65496
Substrate
BDBM65498
Meas. Tech.
NAD glycohydrolase assay
pH
7.4±0
Temperature
310.15±0 K
IC50
33±5 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 [1-303]
Synonyms:
C-His6-SmNACE
Type:
Protein
Mol. Mass.:
35588.81
Organism:
Schistosoma mansoni
Description:
Q32TF5 6 His tagged
Residue:
309
Sequence:
MMNVILFLTLSNIFVFNSAQHQINLLSEIVQSRCTQWKVEHGATNISCSEIWNSFESILLSTHTKSACVMKSGLFDDFVYQLFELEQQQQQRHHTIQTEQYFHSQVMNIIRGMCKRLGVCRSLETTFPGYLFDELNWCNGSLTGNTKYGTVCGCDYKSNVVHAFWQSASAEYARRASGNIFVVLNGSVKAPFNENKTFGKIELPLLKHPRVQQLTVKLVHSLEDVNNRQTCESWSLQELANKLNSVHIPFRCIDDPLEFRHYQCIENPGKQLCQFSASTRSNVETLLILFPLVICLTFYTSMNHHHHHH
  
Inhibitor
Name:
BDBM65496
Synonyms:
SmNACE inhibitor, 2
Type:
Small organic molecule
Emp. Form.:
C13H11ClN2O3
Mol. Mass.:
278.691
SMILES:
Cc1occc1C(=O)N\N=C\c1cc(Cl)ccc1O
Structure:
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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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