Reaction Details Report a problem with these data
Target
Trifunctional purine biosynthetic protein adenosine-3
Ligand
BDBM50534427
Substrate
n/a
Meas. Tech.
ChEMBL_1990473 (CHEMBL4624208)
IC50
0.320000±n/a nM
Citation
 Golani, LK; Islam, F; O'Connor, C; Dekhne, AS; Hou, Z; Matherly, LH; Gangjee, A Design, synthesis and biological evaluation of novel pyrrolo[2,3-d]pyrimidine as tumor-targeting agents with selectivity for tumor uptake by high affinity folate receptors over the reduced folate carrier. Bioorg Med Chem 28:0 (2020) [PubMed]  Article 
Target
Name:
Trifunctional purine biosynthetic protein adenosine-3
Synonyms:
Glycinamide ribonucleotide transformylase (GAR Tfase) | GAR Tfase | GAR transformylase | PUR2_HUMAN | GART | PGFT | PRGS | Thymidylate synthase/GAR transformylase/AICAR transformylase | Glycinamide ribonucleotide formyltransferase (GARFTase)
Type:
Protein
Mol. Mass.:
107768.47
Organism:
Human
Description:
P22102
Residue:
1010
Sequence:
MAARVLIIGSGGREHTLAWKLAQSHHVKQVLVAPGNAGTACSEKISNTAISISDHTALAQFCKEKKIEFVVVGPEAPLAAGIVGNLRSAGVQCFGPTAEAAQLESSKRFAKEFMDRHGIPTAQWKAFTKPEEACSFILSADFPALVVKASGLAAGKGVIVAKSKEEACKAVQEIMQEKAFGAAGETIVIEELLDGEEVSCLCFTDGKTVAPMPPAQDHKRLLEGDGGPNTGGMGAYCPAPQVSNDLLLKIKDTVLQRTVDGMQQEGTPYTGILYAGIMLTKNGPKVLEFNCRFGDPECQVILPLLKSDLYEVIQSTLDGLLCTSLPVWLENHTALTVVMASKGYPGDYTKGVEITGFPEAQALGLEVFHAGTALKNGKVVTHGGRVLAVTAIRENLISALEEAKKGLAAIKFEGAIYRKDVGFRAIAFLQQPRSLTYKESGVDIAAGNMLVKKIQPLAKATSRSGCKVDLGGFAGLFDLKAAGFKDPLLASGTDGVGTKLKIAQLCNKHDTIGQDLVAMCVNDILAQGAEPLFFLDYFSCGKLDLSVTEAVVAGIAKACGKAGCALLGGETAEMPDMYPPGEYDLAGFAVGAMERDQKLPHLERITEGDVVVGIASSGLHSNGFSLVRKIVAKSSLQYSSPAPDGCGDQTLGDLLLTPTRIYSHSLLPVLRSGHVKAFAHITGGGLLENIPRVLPEKLGVDLDAQTWRIPRVFSWLQQEGHLSEEEMARTFNCGVGAVLVVSKEQTEQILRDIQQHKEEAWVIGSVVARAEGSPRVKVKNLIESMQINGSVLKNGSLTNHFSFEKKKARVAVLISGTGSNLQALIDSTREPNSSAQIDIVISNKAAVAGLDKAERAGIPTRVINHKLYKNRVEFDSAIDLVLEEFSIDIVCLAGFMRILSGPFVQKWNGKMLNIHPSLLPSFKGSNAHEQALETGVTVTGCTVHFVAEDVDAGQIILQEAVPVKRGDTVATLSERVKLAEHKIFPAALQLVASGTVQLGENGKICWVKEE
  
Inhibitor
Name:
BDBM50534427
Synonyms:
CHEMBL4437824
Type:
Small organic molecule
Emp. Form.:
C20H22N6O6
Mol. Mass.:
442.43
SMILES:
c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCCc2cc3c([nH]2)N=C(NC3=O)N
Structure:
Search PDB for entries with ligand similarity: