Reaction Details Report a problem with these data
Target
Trifunctional purine biosynthetic protein adenosine-3
Ligand
BDBM22590
Substrate
n/a
Meas. Tech.
ChEMBL_1575333 (CHEMBL3801851)
Ki
6.0±n/a nM
Citation
 Liu, Y; Li, M; Zhang, H; Yuan, J; Zhang, C; Zhang, K; Guo, H; Zhao, L; Du, Y; Wang, L; Ren, L Design, synthesis and biological evaluation of 6-substituted pyrrolo[2,3-d]pyrimidines as dual inhibitors of TS and AICARFTase and as potential antitumor agents. Eur J Med Chem 115:245-56 (2016) [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:
BDBM22590
Synonyms:
5,10-dideazatetrahydrofolic acid | DDF | (2S)-2-[(4-{2-[(6R)-2-amino-4-oxo-1H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-6-yl]ethyl}phenyl)formamido]pentanedioic acid | DDATHF | Lometrexol
Type:
Antimetabolite
Emp. Form.:
C21H25N5O6
Mol. Mass.:
443.18
SMILES:
Nc1nc2NC[C@H](CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1
Structure:
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