Reaction Details Report a problem with these data
Target
Trifunctional purine biosynthetic protein adenosine-3
Ligand
BDBM50005518
Substrate
n/a
Meas. Tech.
ChEMBL_610926 (CHEMBL1067649)
IC50
780±n/a nM
Citation
 Wang, L; Cherian, C; Desmoulin, SK; Polin, L; Deng, Y; Wu, J; Hou, Z; White, K; Kushner, J; Matherly, LH; Gangjee, A Synthesis and antitumor activity of a novel series of 6-substituted pyrrolo[2,3-d]pyrimidine thienoyl antifolate inhibitors of purine biosynthesis with selectivity for high affinity folate receptors and the proton-coupled folate transporter over the reduced folate carrier for cellular entry. J Med Chem 53:1306-18 (2010) [PubMed]  Article 
Target
Name:
Trifunctional purine biosynthetic protein adenosine-3
Synonyms:
PUR2_MOUSE | Gart | GAR transformylase
Type:
PROTEIN
Mol. Mass.:
107504.27
Organism:
Mouse
Description:
ChEMBL_497843
Residue:
1010
Sequence:
MAARVLVIGSGGREHTLAWKLAQSPQVKQVLVAPGNAGTACAGKISNAAVSVNDHSALAQFCKDEKIELVVVGPEAPLAAGIVGDLTSAGVRCFGPTAQAAQLESSKKFAKEFMDRHEIPTAQWRAFTNPEDACSFITSANFPALVVKASGLAAGKGVIVAKSQAEACRAVQEIMQEKSFGAAGETVVVEEFLEGEEVSCLCFTDGKTVAEMPPAQDHKRLLDGDEGPNTGGMGAYCPAPQVSKDLLVKIKNTILQRAVDGMQQEGAPYTGILYAGIMLTKDGPKVLEFNCRFGDPECQVILPLLKSDLYEVMQSTLDGLLSASLPVWLENHSAVTVVMASKGYPGAYTKGVEITGFPEAQALGLQVFHAGTALKDGKVVTSGGRVLTVTAVQENLMSALAEARKGLAALKFEGAIYRKDIGFRAVAFLQRPRGLTYKDSGVDIAAGNMLVKKIQPLAKATSRPGCSVDLGGFAGLFDLKAAGFKDPLLASGTDGVGTKLKIAQLCNKHDSIGQDLVAMCVNDILAQGAEPLFFLDYFSCGKLDLSTTEAVIAGIAAACQQAGCALLGGETAEMPNMYPPGEYDLAGFAVGAMERHQKLPQLERITEGDAVIGVASSGLHSNGFSLVRKIVERSSLQYSSPAPGGCGDQTLGDLLLTPTRIYSHSLLPIIRSGRVKAFAHITGGGLLENIPRVLPQKFGVDLDASTWRVPKVFSWLQQEGELSEEEMARTFNCGIGAALVVSKDQAEQVLHDVRRRQEEAWVIGSVVACPEDSPRVRVKNLIETIQTNGSLVANGFLKSNFPVQQKKARVAVLISGTGSNLQALIDSTRDPKSSSHIVLVISNKAAVAGLDRAERAGIPTRVINHKLYKNRVEFDNAVDHVLEEFSVDIVCLAGFMRILSGPFVRKWDGKMLNIHPSLLPSFKGSNAHEQVLEAGVTITGCTVHFVAEDVDAGQIILQEAVPVRRGDTVATLSERVKVAEHKIFPAALQLVASGAVQLREDGKIHWAKEQ
  
Inhibitor
Name:
BDBM50005518
Synonyms:
CHEMBL142806 | (S)-2-{(R)-4-[2-((R)-2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid | (S)-2-{(S)-4-[2-(2-Amino-4-hydroxy-5,6,7,8-tetrahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid | (S)-2-{4-[2-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid | (S)-2-(4-(2-((R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl)ethyl)benzamido)pentanedioic acid | (S)-2-{(R)-4-[2-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid | (S)-2-(4-(2-((R)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl)ethyl)benzamido)pentanedioic acid | (S)-2-{4-[2-((R)-2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid | 2-{4-[2-(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-pyrido[2,3-d]pyrimidin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid | LOMETREXOL
Type:
Small organic molecule
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
Search PDB for entries with ligand similarity: