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BDBM20676 (2S)-2-{[4-({2-amino-6-methyl-4-oxo-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-5-yl}methyl)phenyl]formamido}pentanedioic acid::Pyrrolo[3,2-d]pyrimidine analogue, 4
SMILES: Cc1cc2nc(N)[nH]c(=O)c2n1Cc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
InChI Key: InChIKey=MQXAYLIDIPHGSK-UHFFFAOYSA-N
Data: 6 IC50
| Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Thymidylate synthase (Human) | BDBM20676![]() ((2S)-2-{[4-({2-amino-6-methyl-4-oxo-3H,4H,5H-pyrro...) | GoogleScholar | UniChem | n/a | n/a | 46 | n/a | n/a | n/a | n/a | 7.4 | 30 | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Thymidylate synthase (Escherichia coli (strain K12)) | BDBM20676![]() ((2S)-2-{[4-({2-amino-6-methyl-4-oxo-3H,4H,5H-pyrro...) | GoogleScholar | UniChem | n/a | n/a | 69 | n/a | n/a | n/a | n/a | 7.4 | 30 | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii) | BDBM20676![]() ((2S)-2-{[4-({2-amino-6-methyl-4-oxo-3H,4H,5H-pyrro...) | GoogleScholar | UniChem | n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dihydrofolate reductase (Human) | BDBM20676![]() ((2S)-2-{[4-({2-amino-6-methyl-4-oxo-3H,4H,5H-pyrro...) | GoogleScholar | UniChem | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dihydrofolate reductase (Escherichia coli (strain K12)) | BDBM20676![]() ((2S)-2-{[4-({2-amino-6-methyl-4-oxo-3H,4H,5H-pyrro...) | GoogleScholar | UniChem | n/a | n/a | >2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii) | BDBM20676![]() ((2S)-2-{[4-({2-amino-6-methyl-4-oxo-3H,4H,5H-pyrro...) | GoogleScholar | UniChem | n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||