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TargetGlycine hydroxymethyltransferase
LigandBDBM50239653
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1666642 (CHEMBL4016438)
IC50 119±n/a nM
Citation Schwertz, GWitschel, MCRottmann, MBonnert, RLeartsakulpanich, UChitnumsub, PJaruwat, AIttarat, WSchäfer, AAponte, RACharman, SAWhite, KLKundu, ASadhukhan, SLloyd, MFreiberg, GMSrikumaran, MSiggel, MZwyssig, AChaiyen, PDiederich, F Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures. J Med Chem60:4840-4860 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Glycine hydroxymethyltransferase
Name:Glycine hydroxymethyltransferase
Synonyms:2.1.2.1 | SHMT
Type:PROTEIN
Mol. Mass.:49787.58
Organism:Plasmodium falciparum
Description:ChEMBL_117520
Residue:442
Sequence:
MFNNDPLQKYDKELFDLLEKEKNRQIETINLIASENLTNTAVRECLGDRISNKYSEGYPH
KRYYGGNDYVDKIEELCYKRALEAFNVSEEEWGVNVQPLSGSAANVQALYALVGVKGKIM
GMHLCSGGHLTHGFFDEKKKVSITSDLFESKLYKCNSEGYVDMESVRNLALSFQPKVIIC
GYTSYPRDIDYKGFREICDEVNAYLFADISHISSFVACNLLNNPFTYADVVTTTTHKILR
GPRSALIFFNKKRNPGIDQKINSSVFPSFQGGPHNNKIAAVACQLKEVNTPFFKEYTKQV
LLNSKALAECLLKRNLDLVTNGTDNHLIVVDLRKYNITGSKLQETCNAINIALNKNTIPS
DVDCVSPSGIRIGTPALTTRGCKEKDMEFIADMLLKAILLTDELQQKYGKKLVDFKKGLV
NNPKIDELKKEVVQWAKNLPFA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50239653
n/a
NameBDBM50239653
Synonyms:CHEMBL4087703
TypeSmall organic molecule
Emp. Form.C24H20F3N5O3
Mol. Mass.483.4425
SMILESCC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)-c1cncc(c1)C(O)=O |c:13|
Structure
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