Reaction Details Report a problem with these data
Target
Sulfotransferase 1A1
Ligand
BDBM22870
Substrate
n/a
Meas. Tech.
Amoxapine and Protriptyline Inhibition Assay
pH
7.5±n/a
Temperature
275.15±n/a K
Ki
3.5e+4± 1.7e+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:
BDBM22870
Synonyms:
13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,9,12,14-heptaene | 2-chloro-11-piperazin-1-yldibenzo[b,f][1,4]oxazepine | Amoxapine | Asendin | CHEMBL1113 | Demolox
Type:
Small organic molecule
Emp. Form.:
C17H16ClN3O
Mol. Mass.:
313.781
SMILES:
Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1 |t:13|
Structure:
Search PDB for entries with ligand similarity: