Reaction Details Report a problem with these data
Target
Betaine--homocysteine S-methyltransferase 1
Ligand
BDBM50436834
Substrate
n/a
Meas. Tech.
ChEMBL_970672 (CHEMBL2405889)
IC50
219000±n/a nM
Citation
 Pícha, J; Vanek, V; Budešínský, M; Mládková, J; Garrow, TA; Jirácek, J The development of a new class of inhibitors for betaine-homocysteine S-methyltransferase. Eur J Med Chem 65:256-75 (2013) [PubMed]  Article 
Target
Name:
Betaine--homocysteine S-methyltransferase 1
Synonyms:
BHMT | BHMT1_HUMAN
Type:
PROTEIN
Mol. Mass.:
45000.99
Organism:
Homo sapiens (Human)
Description:
ChEMBL_970672
Residue:
406
Sequence:
MPPVGGKKAKKGILERLNAGEIVIGDGGFVFALEKRGYVKAGPWTPEAAVEHPEAVRQLHREFLRAGSNVMQTFTFYASEDKLENRGNYVLEKISGQEVNEAACDIARQVADEGDALVAGGVSQTPSYLSCKSETEVKKVFLQQLEVFMKKNVDFLIAEYFEHVEEAVWAVETLIASGKPVAATMCIGPEGDLHGVPPGECAVRLVKAGASIIGVNCHFDPTISLKTVKLMKEGLEAARLKAHLMSQPLAYHTPDCNKQGFIDLPEFPFGLEPRVATRWDIQKYAREAYNLGVRYIGGCCGFEPYHIRAIAEELAPERGFLPPASEKHGSWGSGLDMHTKPWVRARARKEYWENLRIASGRPYNPSMSKPDGWGVTKGTAELMQQKEATTEQQLKELFEKQKFKSQ
  
Inhibitor
Name:
BDBM50436834
Synonyms:
CHEMBL2403302
Type:
Small organic molecule
Emp. Form.:
C8H18NO5PS
Mol. Mass.:
271.271
SMILES:
NC(CCSCCCCC(O)=O)P(O)(O)=O
Structure:
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