Reaction Details Report a problem with these data
Target
Sulfotransferase 2A1
Ligand
BDBM50176062
Substrate
n/a
Meas. Tech.
Amoxapine and Protriptyline Inhibition Assay
pH
7.5±n/a
Temperature
275.15±n/a K
Ki
7.6e+4± 1.15e+4 nM
Comments
extracted
Citation
 Cook, I; Wang, T; Falany, CN; Leyh, TS High accuracy in silico sulfotransferase models. J Biol Chem 288:34494-501 (2013) [PubMed]  Article 
Target
Name:
Sulfotransferase 2A1
Synonyms:
HST | ST2A1_HUMAN | STD | SULT2A1 | Sulfotransferase 2A1 (SULT2A1)
Type:
Enzyme
Mol. Mass.:
33776.92
Organism:
Homo sapiens (Human)
Description:
Q06520
Residue:
285
Sequence:
MSDDFLWFEGIAFPTMGFRSETLRKVRDEFVIRDEDVIILTYPKSGTNWLAEILCLMHSKGDAKWIQSVPIWERSPWVESEIGYTALSETESPRLFSSHLPIQLFPKSFFSSKAKVIYLMRNPRDVLVSGYFFWKNMKFIKKPKSWEEYFEWFCQGTVLYGSWFDHIHGWMPMREEKNFLLLSYEELKQDTGRTIEKICQFLGKTLEPEELNLILKNSSFQSMKENKMSNYSLLSVDYVVDKAQLLRKGVSGDWKNHFTVAQAEDFDKLFQEKMADLPRELFPWE
  
Inhibitor
Name:
BDBM50176062
Synonyms:
3-(5H-dibenzo[a,d][7]annulen-5-yl)-N-methylpropan-1-amine | 3-(5H-dibenzo[a,d]cyclohepten-5-yl)-N-methyl-1-propanamine | 5-(3-methylaminopropyl)-5H-dibenzo[a,d]cycloheptene | 7-(3-methylaminopropyl)-1,2:5,6-dibenzocycloheptatriene | CHEMBL668 | N-methyl-5H-dibenzo[a,d]cycloheptene-5-propanamine | N-methyl-5H-dibenzo[a,d]cycloheptene-5-propylamine | PROTRIPTYLINE | amimetilina
Type:
Small organic molecule
Emp. Form.:
C19H21N
Mol. Mass.:
263.3767
SMILES:
CNCCCC1c2ccccc2C=Cc2ccccc12 |c:13|
Structure:
Search PDB for entries with ligand similarity: