General Information of Target

Target ID LDTP09978
Target Name Betaine--homocysteine S-methyltransferase 1 (BHMT)
Gene Name BHMT
Gene ID 635
Synonyms
Betaine--homocysteine S-methyltransferase 1; EC 2.1.1.5
3D Structure
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2D Sequence (FASTA)
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3D Structure (PDB)
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Sequence
MGQAGCKGLCLSLFDYKTEKYVIAKNKKVGLLYRLLQASILAYLVVWVFLIKKGYQDVDT
SLQSAVITKVKGVAFTNTSDLGQRIWDVADYVIPAQGENVFFVVTNLIVTPNQRQNVCAE
NEGIPDGACSKDSDCHAGEAVTAGNGVKTGRCLRRENLARGTCEIFAWCPLETSSRPEEP
FLKEAEDFTIFIKNHIRFPKFNFSKSNVMDVKDRSFLKSCHFGPKNHYCPIFRLGSVIRW
AGSDFQDIALEGGVIGINIEWNCDLDKAASECHPHYSFSRLDNKLSKSVSSGYNFRFARY
YRDAAGVEFRTLMKAYGIRFDVMVNGKGAFFCDLVLIYLIKKREFYRDKKYEEVRGLEDS
SQEAEDEASGLGLSEQLTSGPGLLGMPEQQELQEPPEAKRGSSSQKGNGSVCPQLLEPHR
ST
Target Bioclass
Enzyme
Subcellular location
Cytoplasm, cytosol
Function
Involved in the regulation of homocysteine metabolism. Converts betaine and homocysteine to dimethylglycine and methionine, respectively. This reaction is also required for the irreversible oxidation of choline.
Uniprot ID
Q93088
Ensemble ID
ENST00000274353.10
HGNC ID
HGNC:1047
ChEMBL ID
CHEMBL4328

Probe(s) Labeling This Target

ABPP Probe
Click To Hide/Show 5 Probe Related to This Target
Probe name Structure Binding Site(Ratio) Interaction ID Ref
DBIA
 Probe Info 
C131(1.88)  LDD3378  [1]
IPM
 Probe Info 
C300(9.60); C299(8.28); C131(1.72)  LDD1701  [2]
BTD
 Probe Info 
N.A.  LDD0004  [3]
WYneO
 Probe Info 
N.A.  LDD0022  [3]
VSF
 Probe Info 
N.A.  LDD0007  [3]

Competitor(s) Related to This Target

Competitor ID Name Cell line Binding Site(Ratio) Interaction ID Ref
 LDCM0548  1-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-nitroethan-1-one MDA-MB-231 C131(0.76); C300(0.81)  LDD2142  [2]
 LDCM0510  3-(4-(Hydroxydiphenylmethyl)piperidin-1-yl)-3-oxopropanenitrile MDA-MB-231 C299(1.35); C131(0.99)  LDD2103  [2]
 LDCM0213  Electrophilic fragment 2 MDA-MB-231 C131(1.15); C300(0.81)  LDD1702  [2]
 LDCM0022  KB02 769-P C131(1.40)  LDD2246  [1]
 LDCM0023  KB03 MDA-MB-231 C300(9.60); C299(8.28); C131(1.72)  LDD1701  [2]
 LDCM0024  KB05 OS-RC-2 C131(1.88)  LDD3378  [1]
 LDCM0509  N-(4-bromo-3,5-dimethylphenyl)-2-nitroacetamide MDA-MB-231 C131(1.10); C300(1.38)  LDD2102  [2]
 LDCM0497  Nucleophilic fragment 11b MDA-MB-231 C131(1.11); C300(1.83)  LDD2090  [2]
 LDCM0499  Nucleophilic fragment 12b MDA-MB-231 C131(0.93); C300(1.06)  LDD2092  [2]
 LDCM0501  Nucleophilic fragment 13b MDA-MB-231 C300(1.75)  LDD2094  [2]
 LDCM0504  Nucleophilic fragment 15a MDA-MB-231 C131(0.75)  LDD2097  [2]
 LDCM0505  Nucleophilic fragment 15b MDA-MB-231 C131(0.81); C300(1.95)  LDD2098  [2]
 LDCM0507  Nucleophilic fragment 16b MDA-MB-231 C131(0.64)  LDD2100  [2]
 LDCM0511  Nucleophilic fragment 18b MDA-MB-231 C131(0.60)  LDD2104  [2]
 LDCM0513  Nucleophilic fragment 19b MDA-MB-231 C131(0.54); C300(0.93)  LDD2106  [2]
 LDCM0515  Nucleophilic fragment 20b MDA-MB-231 C131(0.77)  LDD2108  [2]
 LDCM0517  Nucleophilic fragment 21b MDA-MB-231 C131(0.85); C300(1.98)  LDD2110  [2]
 LDCM0521  Nucleophilic fragment 23b MDA-MB-231 C299(1.04); C131(0.66); C300(1.04)  LDD2114  [2]
 LDCM0522  Nucleophilic fragment 24a MDA-MB-231 C131(0.68)  LDD2115  [2]
 LDCM0541  Nucleophilic fragment 36 MDA-MB-231 C131(0.49)  LDD2134  [2]
 LDCM0547  Nucleophilic fragment 41 MDA-MB-231 C131(0.78); C300(0.45)  LDD2141  [2]
 LDCM0551  Nucleophilic fragment 5b MDA-MB-231 C300(1.83)  LDD2145  [2]
 LDCM0559  Nucleophilic fragment 9b MDA-MB-231 C131(1.29)  LDD2153  [2]

The Interaction Atlas With This Target

The Drug(s) Related To This Target

Approved
Click To Hide/Show 2 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
Betaine Small molecular drug DB06756
Methionine Small molecular drug DB00134
Investigative
Click To Hide/Show 1 Drug(s) Interacting with This Target
Drug Name Drug Type External ID
S-(D-carboxybutyl)-l-homocysteine . DB02337

References

1 DrugMap: A quantitative pan-cancer analysis of cysteine ligandability. Cell. 2024 May 9;187(10):2536-2556.e30. doi: 10.1016/j.cell.2024.03.027. Epub 2024 Apr 22.
Mass spectrometry data entry: PXD047840
2 Nucleophilic covalent ligand discovery for the cysteine redoxome. Nat Chem Biol. 2023 Nov;19(11):1309-1319. doi: 10.1038/s41589-023-01330-5. Epub 2023 May 29.
Mass spectrometry data entry: PXD039908 , PXD029761
3 A modification-centric assessment tool for the performance of chemoproteomic probes. Nat Chem Biol. 2022 Aug;18(8):904-912. doi: 10.1038/s41589-022-01074-8. Epub 2022 Jul 21.
Mass spectrometry data entry: PXD027758 , PXD027755 , PXD027760 , PXD027762 , PXD027756 , PXD027591 , PXD007149 , PXD030064 , PXD032392 , PXD027789 , PXD027767 , PXD027764