Molecule Details
InChIKeyZJUKTBDSGOFHSH-WFMPWKQPSA-N
Compound NameAdenosylhomocysteine
Canonical SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)22
Pfam Stratification Cross-Family
Avg pChEMBL6.38
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB01752
Drug NameS-adenosyl-L-homocysteine
CAS Number979-92-0
Groups experimental
ATC Codes nan
Description5'-S-(3-Amino-3-carboxypropyl)-5'-thioadenosine. Formed from S-adenosylmethionine after transmethylation reactions.
Categories: Amino Acids Amino Acids, Peptides, and Proteins Amino Acids, Sulfur Heterocyclic Compounds, Fused-Ring Nucleic Acids, Nucleotides, and Nucleosides Nucleosides Purine Nucleosides Purines Ribonucleosides Sulfur Compounds
Cross-references: BindingDB: 50009672 ChEBI: 16680 CHEMBL418052 ChemSpider: 388301 C00021 PDB: SAH PubChem:439155 PubChem:46508993 Wikipedia: S-Adenosyl-L-homocysteine ZINC: ZINC000004228232
Target Activities (22)
Target Gene Organism Category Pfam pChEMBL Type Source
Q9NVM4 PRMT7 Homo sapiens Human PF06325 PF22528 7.0 IC50 ChEMBL;BindingDB
Q9NRG4 SMYD2 Homo sapiens Human PF00856 PF01753 6.7 IC50 ChEMBL;BindingDB
Q8TEK3 DOT1L Homo sapiens Human PF08123 6.7 IC50 ChEMBL;BindingDB
Q9H9B1 EHMT1 Homo sapiens Human PF12796 PF13637 PF21533 PF05033 PF00856 6.6 IC50 ChEMBL;BindingDB
Q9UBC3 DNMT3B Homo sapiens Human PF17980 PF00145 PF21255 PF00855 6.6 IC50 ChEMBL;BindingDB
O60678 PRMT3 Homo sapiens Human PF21137 PF21336 PF06325 PF22528 6.5 IC50 ChEMBL;BindingDB
Q15910 EZH2 Homo sapiens Human PF21358 PF11616 PF18118 PF18264 PF00856 6.5 IC50 ChEMBL;BindingDB
Q86X55 CARM1 Homo sapiens Human PF11531 PF06325 PF22528 6.4 Ki ChEMBL;BindingDB
Q99873 PRMT1 Homo sapiens Human PF13649 PF22528 6.3 IC50 ChEMBL;BindingDB
Q9HCE5 METTL14 Homo sapiens Human PF05063 6.3 IC50 ChEMBL
O14744 PRMT5 Homo sapiens Human PF05185 PF17286 PF17285 6.2 IC50 ChEMBL;BindingDB
Q96KQ7 EHMT2 Homo sapiens Human PF00023 PF12796 PF21533 PF05033 PF00856 6.2 Ki ChEMBL;BindingDB
Q9BQA1 WDR77 Homo sapiens Human PF00400 6.2 IC50 ChEMBL
Q86U44 METTL3 Homo sapiens Human PF05063 6.2 IC50 ChEMBL;BindingDB
P26358 DNMT1 Homo sapiens Human PF01426 PF06464 PF00145 PF12047 PF02008 6.2 IC50 ChEMBL;BindingDB
P61964 WDR5 Homo sapiens Human PF25175 6.1 IC50 ChEMBL
Q03164 KMT2A Homo sapiens Human PF05965 PF05964 PF00628 PF00856 PF02008 PF13771 6.1 IC50 ChEMBL
Q15291 RBBP5 Homo sapiens Human PF00400 6.1 IC50 ChEMBL
Q9C005 DPY30 Homo sapiens Human PF05186 6.1 IC50 ChEMBL
Q9UBL3 ASH2L Homo sapiens Human PF21198 PF21257 PF00622 6.1 IC50 ChEMBL
P0DTD1 rep Severe acute respiratory syndrome coronavirus 2 Pathogen PF13087 PF16251 PF11501 PF12379 PF12124 PF11633 PF06471 PF06460 PF09401 PF20631 PF20633 PF20632 PF19215 PF19216 PF19219 PF19211 PF19218 PF16348 PF19217 PF19213 PF08716 PF08717 PF08710 PF08715 PF06478 PF01661 PF05409 PF00680 6.7 IC50 ChEMBL
V5TFZ2 Dengue virus Pathogen PF00972 PF20483 PF01728 6.3 IC50 ChEMBL;BindingDB
DrugBank Target Actions (39)
Target Gene Target Name Action Type
P50135 P50135 Histamine N-methyltransferase binder enzymes
P50135 P50135 Histamine N-methyltransferase inhibitor enzymes
O14717 O14717 tRNA (cytosine(38)-C(5))-methyltransferase binder targets
O60678 PRMT3 Protein arginine N-methyltransferase 3 binder targets
O87696 O87696 Cobalt-precorrin-4 C(11)-methyltransferase binder targets
P04392 P04392 DNA adenine methylase binder targets
P05102 P05102 Type II methyltransferase M.HhaI binder targets
P07617 P07617 Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase binder targets
P07801 P07801 Chemotaxis protein methyltransferase binder targets
P0A876 P0A876 tRNA (guanine-N(1)-)-methyltransferase binder targets
P0ACC1 P0ACC1 Release factor glutamine methyltransferase binder targets
P11086 PNMT Phenylethanolamine N-methyltransferase binder targets
P11409 P11409 Type II methyltransferase M.PvuII binder targets
P12823 Genome polyprotein binder targets
P13956 P13956 rRNA adenine N-6-methyltransferase binder targets
P14385 P14385 Type II methyltransferase M.TaqI binder targets
P14751 P14751 Type II methyltransferase M.RsrI binder targets
P21631 P21631 Uroporphyrinogen-III C-methyltransferase binder targets
P22061 PCMT1 Protein-L-isoaspartate(D-aspartate) O-methyltransferase binder targets
P25924 P25924 Siroheme synthase binder targets
P43912 trmD tRNA (guanine-N(1)-)-methyltransferase binder targets
P44868 P44868 tRNA (cytidine(34)-2'-O)-methyltransferase binder targets
P9WPB3 P9WPB3 Cyclopropane mycolic acid synthase 3 binder targets
P9WPB5 P9WPB5 Cyclopropane mycolic acid synthase 2 binder targets
Q06528 Q06528 Carminomycin 4-O-methyltransferase DnrK binder targets
Q14353 Q14353 Guanidinoacetate N-methyltransferase binder targets
Q14749 Q14749 Glycine N-methyltransferase binder targets
Q54527 Q54527 Aclacinomycin 10-hydroxylase RdmB binder targets
Q56308 Q56308 Protein-L-isoaspartate O-methyltransferase binder targets
Q5SKH6 Q5SKH6 uroporphyrinogen-III C-methyltransferase binder targets
Q79FX6 Q79FX6 Cyclopropane mycolic acid synthase MmaA2 binder targets
Q86VU5 Q86VU5 Catechol O-methyltransferase domain-containing protein 1 binder targets
Q8WTS6 SETD7 Histone-lysine N-methyltransferase SETD7 binder targets
Q99873 PRMT1 Protein arginine N-methyltransferase 1 binder targets
Q9H2P9 Q9H2P9 Diphthine methyl ester synthase binder targets
Q9WYV8 Q9WYV8 Release factor glutamine methyltransferase binder targets
Q9WZX6 Q9WZX6 Ribosomal RNA small subunit methyltransferase H binder targets
P50135 P50135 Histamine N-methyltransferase inhibitor targets
Q9UBC3 DNMT3B DNA (cytosine-5)-methyltransferase 3B inhibitor targets