Reaction Details Report a problem with these data
Target
Bifunctional purine biosynthesis protein ATIC
Ligand
BDBM50022387
Substrate
n/a
Meas. Tech.
ChEBML_28410
IC50
>20000±n/a nM
Citation
 DeGraw, JI; Colwell, WT; Brown, VH; Sato, M; Kisliuk, RL; Gaumont, Y; Thorndike, J; Sirotnak, FM Synthesis and biological evaluation of 8-deazahomofolic acid and its tetrahydro derivative. J Med Chem 31:150-3 (1988) [PubMed]  Article 
Target
Name:
Bifunctional purine biosynthesis protein ATIC
Synonyms:
5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase | 5-aminoimidazole-4-carboxamide-ribonucleotide transformylase | AICAR Tfase | AICAR transformylase | ATIC | Aminoimidazole carboxamide ribonucleotide transformylase (AICAR Tfase) | Bifunctional purine biosynthesis protein PURH | IMP Cyclohydrolase (IMPCH) | IMP cyclohydrolase | IMP synthetase | Inosinicase | PUR9_HUMAN | PURH | Phosphoribosylaminoimidazolecarboxamide formyltransferase | Thymidylate synthase/GAR transformylase/AICAR transformylase
Type:
Protein
Mol. Mass.:
64616.62
Organism:
Homo sapiens (Human)
Description:
P31939
Residue:
592
Sequence:
MAPGQLALFSVSDKTGLVEFARNLTALGLNLVASGGTAKALRDAGLAVRDVSELTGFPEMLGGRVKTLHPAVHAGILARNIPEDNADMARLDFNLIRVVACNLYPFVKTVASPGVTVEEAVEQIDIGGVTLLRAAAKNHARVTVVCEPEDYVVVSTEMQSSESKDTSLETRRQLALKAFTHTAQYDEAISDYFRKQYSKGVSQMPLRYGMNPHQTPAQLYTLQPKLPITVLNGAPGFINLCDALNAWQLVKELKEALGIPAAASFKHVSPAGAAVGIPLSEDEAKVCMVYDLYKTLTPISAAYARARGADRMSSFGDFVALSDVCDVPTAKIISREVSDGIIAPGYEEEALTILSKKKNGNYCVLQMDQSYKPDENEVRTLFGLHLSQKRNNGVVDKSLFSNVVTKNKDLPESALRDLIVATIAVKYTQSNSVCYAKNGQVIGIGAGQQSRIHCTRLAGDKANYWWLRHHPQVLSMKFKTGVKRAEISNAIDQYVTGTIGEDEDLIKWKALFEEVPELLTEAEKKEWVEKLTEVSISSDAFFPFRDNVDRAKRSGVAYIAAPSGSAADKVVIEACDELGIILAHTNLRLFHH
  
Inhibitor
Name:
BDBM50022387
Synonyms:
2-{4-[(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyrido[3,2-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid | CHEMBL36639
Type:
Small organic molecule
Emp. Form.:
C20H24N6O6
Mol. Mass.:
444.4412
SMILES:
Nc1nc2CCC(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Nc2c(=O)[nH]1
Structure:
Search PDB for entries with ligand similarity: