Reaction Details
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Target
Thymidylate synthase
Ligand
BDBM18771
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7±0
Temperature
293.15±0 K
Ki
2.4e+2±n/a nM
Citation
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More Info.:
Target
Name:
Thymidylate synthase
Synonyms:
THYA | TSase | TYSY_PNECA | Thymidylate Synthase (TS)
Type:
Enzyme
Mol. Mass.:
34362.44
Organism:
Pneumocystis carinii
Description:
n/a
Residue:
297
Sequence:
MVNAEEQQYLNLVQYIINHGEDRPDRTGTGTLSVFAPSPLKFSLRNKTFPLLTTKRVFIRGVIEELLWFIRGETDSLKLREKNIHIWDANGSREYLDSIGLTKRQEGDLGPIYGFQWRHFGAEYIDCKTNYIGQGVDQLANIIQKIRTSPYDRRLILSAWNPADLEKMALPPCHMFCQFYVHIPSNNHRPELSCQLYQRSCDMGLGVPFNIASYALLTCMIAHVCDLDPGDFIHVMGDCHIYKDHIEALQQQLTRSPRPFPTLSLNRSITDIEDFTLDDFNIQNYHPYETIKMKMSI
Inhibitor
Name:
BDBM18771
Synonyms:
(2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}phenyl)formamido]pentanedioic acid | CB3717 | CHEMBL389051 | PDDF
Type:
Small organic molecule
Emp. Form.:
C24H23N5O6
Mol. Mass.:
477.4693
SMILES:
Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|