Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50006907
Substrate
n/a
Meas. Tech.
ChEMBL_55290 (CHEMBL875022)
Ki
11±n/a nM
Citation
 Jones, TR; Thornton, TJ; Flinn, A; Jackman, AL; Newell, DR; Calvert, AH Quinazoline antifolates inhibiting thymidylate synthase: 2-desamino derivatives with enhanced solubility and potency. J Med Chem 32:847-52 (1989) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
DYR_RAT | Dhfr | Dihydrofolate reductase (DHFR) | Dihydrofolate reductase; P. carinii vs rat | Tetrahydrofolate dehydrogenase
Type:
Enzyme
Mol. Mass.:
21638.84
Organism:
Rattus norvegicus (rat)
Description:
n/a
Residue:
187
Sequence:
MVRPLNCIVAVSQNMGIGKNGDLPWPLLRNEFKYFQRMTTTSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKEPPQGAHFLAKSLDDALKLIEQPELASKVDMVWVVGGSSVYQEAMNQPGHLRLFVTRIMQEFESDTFFPEIDLEKYKLLPEYPGVLSEIQEEKGIKYKFEVYEKKD
  
Inhibitor
Name:
BDBM50006907
Synonyms:
2-{4-[(4-Oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid | CHEMBL89641
Type:
Small organic molecule
Emp. Form.:
C21H20N4O6
Mol. Mass.:
424.4067
SMILES:
OC(=O)CCC(NC(=O)c1ccc(NCc2ccc3nc[nH]c(=O)c3c2)cc1)C(O)=O
Structure:
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