Reaction Details Report a problem with these data
Target
Serine hydroxymethyltransferase, mitochondrial
Ligand
BDBM285668
Substrate
n/a
Meas. Tech.
Inhibition of Human SHMT
pH
7.4±n/a
IC50
43.0±n/a nM
Comments
extracted
Citation
 Rabinowitz, JD; Kim, H; Ducker, GS; Ghergurovich, JM SHMT inhibitors US Patent  US10077273 Publication Date 9/18/2018 
Target
Name:
Serine hydroxymethyltransferase, mitochondrial
Synonyms:
GLYM_HUMAN | Glycine hydroxymethyltransferase | SHMT | SHMT2 | Serine methylase
Type:
Enzyme Catalytic Domain
Mol. Mass.:
56004.42
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
504
Sequence:
MLYFSLFWAARPLQRCGQLVRMAIRAQHSNAAQTQTGEANRGWTGQESLSDSDPEMWELLQREKDRQCRGLELIASENFCSRAALEALGSCLNNKYSEGYPGKRYYGGAEVVDEIELLCQRRALEAFDLDPAQWGVNVQPYSGSPANLAVYTALLQPHDRIMGLDLPDGGHLTHGYMSDVKRISATSIFFESMPYKLNPKTGLIDYNQLALTARLFRPRLIIAGTSAYARLIDYARMREVCDEVKAHLLADMAHISGLVAAKVIPSPFKHADIVTTTTHKTLRGARSGLIFYRKGVKAVDPKTGREIPYTFEDRINFAVFPSLQGGPHNHAIAAVAVALKQACTPMFREYSLQVLKNARAMADALLERGYSLVSGGTDNHLVLVDLRPKGLDGARAERVLELVSITANKNTCPGDRSAITPGGLRLGAPALTSRQFREDDFRRVVDFIDEGVNIGLEVKSKTAKLQDFKSFLLKDSETSQRLANLRQRVEQFARAFPMPGFDEH
  
Inhibitor
Name:
BDBM285668
Synonyms:
US10077273, Compound 8 | US10584132, Compound 8 | US10934305, Compound 8
Type:
Small organic molecule
Emp. Form.:
C23H24F3N5O
Mol. Mass.:
443.4648
SMILES:
CC(C)C1(c2c(C)n[nH]c2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)C#CCCCN |c:13|
Structure:
Search PDB for entries with ligand similarity: