Reaction Details Report a problem with these data
Target
Betaine--homocysteine S-methyltransferase 1
Ligand
BDBM50189912
Substrate
n/a
Meas. Tech.
ChEMBL_366702 (CHEMBL865953)
IC50
200±n/a nM
Citation
 Jiracek, J; Collinsova, M; Rosenberg, I; Budesinsky, M; Protivinska, E; Netusilova, H; Garrow, TA S-alkylated homocysteine derivatives: new inhibitors of human betaine-homocysteine S-methyltransferase. J Med Chem 49:3982-9 (2006) [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:
BDBM50189912
Synonyms:
(R,S)-6-(3-amino-3-carboxy-propylsulfanyl)-hexanoic acid | CHEMBL208607
Type:
Small organic molecule
Emp. Form.:
C10H19NO4S
Mol. Mass.:
249.327
SMILES:
NC(CCSCCCCCC(O)=O)C(O)=O
Structure:
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