Reaction Details Report a problem with these data
Target
Sulfotransferase 1A1
Ligand
BDBM50176062
Substrate
n/a
Meas. Tech.
Amoxapine and Protriptyline Inhibition Assay
pH
7.5±n/a
Temperature
275.15±n/a K
Ki
5.5e+4± 4.2e+3 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 1A1
Synonyms:
Aryl sulfotransferase 1 | HAST1/HAST2 | P-PST 1 | Phenol sulfotransferase 1 | Phenol-sulfating phenol sulfotransferase 1 | ST1A1 | ST1A1_HUMAN | ST1A3 | STP | STP | STP1 | SULT1A1 | Sulfotransferase 1A1 | Sulfotransferase 1A1 (SULT1A1) | Thermostable phenol sulfotransferase | Ts-PST
Type:
Enzyme
Mol. Mass.:
34165.45
Organism:
Homo sapiens (Human)
Description:
P50225
Residue:
295
Sequence:
MELIQDTSRPPLEYVKGVPLIKYFAEALGPLQSFQARPDDLLISTYPKSGTTWVSQILDMIYQGGDLEKCHRAPIFMRVPFLEFKAPGIPSGMETLKDTPAPRLLKTHLPLALLPQTLLDQKVKVVYVARNAKDVAVSYYHFYHMAKVHPEPGTWDSFLEKFMVGEVSYGSWYQHVQEWWELSRTHPVLYLFYEDMKENPKREIQKILEFVGRSLPEETVDFVVQHTSFKEMKKNPMTNYTTVPQEFMDHSISPFMRKGMAGDWKTTFTVAQNERFDADYAEKMAGCSLSFRSEL
  
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: