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Target
Glycine hydroxymethyltransferase
Ligand
BDBM50239648
Substrate
n/a
Meas. Tech.
ChEMBL_1666642 (CHEMBL4016438)
IC50
172±n/a nM
Citation
 Schwertz, G; Witschel, MC; Rottmann, M; Bonnert, R; Leartsakulpanich, U; Chitnumsub, P; Jaruwat, A; Ittarat, W; Schäfer, A; Aponte, RA; Charman, SA; White, KL; Kundu, A; Sadhukhan, S; Lloyd, M; Freiberg, GM; Srikumaran, M; Siggel, M; Zwyssig, A; Chaiyen, P; Diederich, 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:
BDBM50239648
Synonyms:
CHEMBL4071810
Type:
Small organic molecule
Emp. Form.:
C25H26F3N5O3S2
Mol. Mass.:
565.631
SMILES:
CCc1[nH]nc2OC(N)=C(C#N)C(C(C)C)(c12)c1cc(cc(c1)C(F)(F)F)-c1ccc(s1)S(=O)(=O)N(C)C |t:8|
Structure:
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