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Target
Serotonin N-acetyltransferase
Ligand
BDBM50224325
Substrate
n/a
Meas. Tech.
ChEMBL_450671 (CHEMBL900954)
IC50
28400±n/a nM
Citation
 Szewczuk, LM; Saldanha, SA; Ganguly, S; Bowers, EM; Javoroncov, M; Karanam, B; Culhane, JC; Holbert, MA; Klein, DC; Abagyan, R; Cole, PA De novo discovery of serotonin N-acetyltransferase inhibitors. J Med Chem 50:5330-8 (2007) [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:
BDBM50224325
Synonyms:
6-(5-(1-acetyl-2-oxoindolin-3-yl)-4-oxo-2-thioxothiazolidin-3-yl)hexanoic acid | CHEMBL237634
Type:
Small organic molecule
Emp. Form.:
C19H20N2O5S2
Mol. Mass.:
420.503
SMILES:
CC(=O)n1c(O)c(-c2sc(=S)n(CCCCCC(O)=O)c2O)c2ccccc12 |(14.02,-32.05,;15.56,-32.07,;16.32,-33.41,;16.35,-30.75,;17.88,-30.9,;18.63,-32.23,;18.49,-29.5,;20.03,-29.5,;20.95,-30.74,;22.41,-30.26,;23.74,-31.03,;22.41,-28.72,;23.73,-27.92,;25.08,-28.65,;26.39,-27.85,;27.75,-28.58,;29.06,-27.78,;30.42,-28.52,;31.73,-27.72,;30.46,-30.06,;20.95,-28.24,;20.47,-26.78,;17.34,-28.47,;17.34,-26.92,;16.01,-26.16,;14.68,-26.92,;14.68,-28.47,;16.02,-29.25,)|
Structure:
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