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Target
Serotonin N-acetyltransferase
Ligand
BDBM50101693
Substrate
n/a
Meas. Tech.
ChEMBL_201194 (CHEMBL802158)
Ki
942±n/a nM
Citation
 Kim, CM; Cole, PA Bisubstrate ketone analogues as serotonin N-acetyltransferase inhibitors. J Med Chem 44:2479-85 (2001) [PubMed]  Article 
Target
Name:
Serotonin N-acetyltransferase
Synonyms:
AANAT | SNAT | SNAT_SHEEP
Type:
PROTEIN
Mol. Mass.:
23086.34
Organism:
Ovis aries
Description:
ChEMBL_450671
Residue:
207
Sequence:
MSTPSVHCLKPSPLHLPSGIPGSPGRQRRHTLPANEFRCLTPEDAAGVFEIEREAFISVSGNCPLNLDEVQHFLTLCPELSLGWFVEGRLVAFIIGSLWDEERLTQESLALHRPRGHSAHLHALAVHRSFRQQGKGSVLLWRYLHHVGAQPAVRRAVLMCEDALVPFYQRFGFHPAGPCAIVVGSLTFTEMHCSLRGHAALRRNSDR
  
Inhibitor
Name:
BDBM50101693
Synonyms:
Bisubstrate Analogue | [5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-3-({2-[(2-{[(1R)-2-[4-(1H-indol-3-yl)butanoyl]cyclohexyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl] phosphate
Type:
Small organic molecule
Emp. Form.:
C39H55N8O17P3S
Mol. Mass.:
1032.885
SMILES:
CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)C(O)C(=O)NCCC(=O)NCCS[C@@H]1CCCCC1C(=O)CCCc1c[nH]c2ccccc12
Structure:
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