Reaction Details |
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Target | Glycine hydroxymethyltransferase |
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Ligand | BDBM50239675 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1666642 (CHEMBL4016438) |
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IC50 | 186±n/a nM |
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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 Chem60:4840-4860 (2017) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Glycine hydroxymethyltransferase |
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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
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BDBM50239675 |
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n/a |
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Name | BDBM50239675 |
Synonyms: | CHEMBL4095396 |
Type | Small organic molecule |
Emp. Form. | C26H23F3N4O3 |
Mol. Mass. | 496.481 |
SMILES | CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)-c1cccc(CC(O)=O)c1 |c:13| |
Structure |
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