Target
Glycine hydroxymethyltransferase
Ligand
BDBM50239650
Substrate
n/a
Meas. Tech.
ChEMBL_1666642 (CHEMBL4016438)
IC50
340±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 Chem 60:4840-4860 (2017) [PubMed]  Article 
Target
Name:
Glycine hydroxymethyltransferase
Synonyms:
2.1.2.1 | SHMT
Type:
PROTEIN
Mol. Mass.:
49787.58
Organism:
Plasmodium falciparum
Description:
ChEMBL_117520
Residue:
442
Sequence:
MFNNDPLQKYDKELFDLLEKEKNRQIETINLIASENLTNTAVRECLGDRISNKYSEGYPHKRYYGGNDYVDKIEELCYKRALEAFNVSEEEWGVNVQPLSGSAANVQALYALVGVKGKIMGMHLCSGGHLTHGFFDEKKKVSITSDLFESKLYKCNSEGYVDMESVRNLALSFQPKVIICGYTSYPRDIDYKGFREICDEVNAYLFADISHISSFVACNLLNNPFTYADVVTTTTHKILRGPRSALIFFNKKRNPGIDQKINSSVFPSFQGGPHNNKIAAVACQLKEVNTPFFKEYTKQVLLNSKALAECLLKRNLDLVTNGTDNHLIVVDLRKYNITGSKLQETCNAINIALNKNTIPSDVDCVSPSGIRIGTPALTTRGCKEKDMEFIADMLLKAILLTDELQQKYGKKLVDFKKGLVNNPKIDELKKEVVQWAKNLPFA
  
Inhibitor
Name:
BDBM50239650
Synonyms:
CHEMBL4081230
Type:
Small organic molecule
Emp. Form.:
C23H22F3N5O3S2
Mol. Mass.:
537.578
SMILES:
CCC1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)-c1ccc(s1)S(=O)(=O)N(C)C |c:12|
Structure:
Search PDB for entries with ligand similarity: