Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetDihydrofolate reductase
LigandBDBM50033555
Substrate/Competitorn/a
Meas. Tech.ChEMBL_55140 (CHEMBL668783)
IC50 74±n/a nM
Citation Gangjee, AZaveri, NKothare, MQueener, SF Nonclassical 2,4-diamino-6-(aminomethyl)-5,6,7,8-tetrahydroquinazoline antifolates: synthesis and biological activities. J Med Chem38:3660-8 (1995) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Dihydrofolate reductase
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:
MVRPLNCIVAVSQNMGIGKNGDLPWPLLRNEFKYFQRMTTTSSVEGKQNLVIMGRKTWFS
IPEKNRPLKDRINIVLSRELKEPPQGAHFLAKSLDDALKLIEQPELASKVDMVWVVGGSS
VYQEAMNQPGHLRLFVTRIMQEFESDTFFPEIDLEKYKLLPEYPGVLSEIQEEKGIKYKF
EVYEKKD
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50033555
n/a
NameBDBM50033555
Synonyms:6-{[Prop-2-ynyl-(3,4,5-trimethoxy-phenyl)-amino]-methyl}-5,6,7,8-tetrahydro-quinazoline-2,4-diamine | CHEMBL120821
TypeSmall organic molecule
Emp. Form.C21H27N5O3
Mol. Mass.397.4708
SMILESCOc1cc(cc(OC)c1OC)N(CC#C)CC1CCc2nc(N)nc(N)c2C1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: