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Target
Betaine--homocysteine S-methyltransferase 1
Ligand
BDBM50189917
Substrate
n/a
Meas. Tech.
ChEMBL_366702 (CHEMBL865953)
IC50
87±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:
BDBM50189917
Synonyms:
(R,S)-5-(3-amino-3-carboxy-propylsulfanyl)-pentanoic acid | 5-(3-amino-3-carboxypropylthio)pentanoic acid | CHEMBL211229
Type:
Small organic molecule
Emp. Form.:
C9H17NO4S
Mol. Mass.:
235.301
SMILES:
NC(CCSCCCCC(O)=O)C(O)=O
Structure:
Search PDB for entries with ligand similarity: