Reaction Details Report a problem with these data
Target
Trifunctional purine biosynthetic protein adenosine-3
Ligand
BDBM50306576
Substrate
n/a
Meas. Tech.
ChEMBL_610926 (CHEMBL1067649)
IC50
60±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
More Info.:
Target
Name:
Trifunctional purine biosynthetic protein adenosine-3
Synonyms:
GAR transformylase | Gart | PUR2_MOUSE
Type:
PROTEIN
Mol. Mass.:
107504.27
Organism:
Mus musculus
Description:
ChEMBL_497843
Residue:
1010
Sequence:
MAARVLVIGSGGREHTLAWKLAQSPQVKQVLVAPGNAGTACAGKISNAAVSVNDHSALAQFCKDEKIELVVVGPEAPLAAGIVGDLTSAGVRCFGPTAQAAQLESSKKFAKEFMDRHEIPTAQWRAFTNPEDACSFITSANFPALVVKASGLAAGKGVIVAKSQAEACRAVQEIMQEKSFGAAGETVVVEEFLEGEEVSCLCFTDGKTVAEMPPAQDHKRLLDGDEGPNTGGMGAYCPAPQVSKDLLVKIKNTILQRAVDGMQQEGAPYTGILYAGIMLTKDGPKVLEFNCRFGDPECQVILPLLKSDLYEVMQSTLDGLLSASLPVWLENHSAVTVVMASKGYPGAYTKGVEITGFPEAQALGLQVFHAGTALKDGKVVTSGGRVLTVTAVQENLMSALAEARKGLAALKFEGAIYRKDIGFRAVAFLQRPRGLTYKDSGVDIAAGNMLVKKIQPLAKATSRPGCSVDLGGFAGLFDLKAAGFKDPLLASGTDGVGTKLKIAQLCNKHDSIGQDLVAMCVNDILAQGAEPLFFLDYFSCGKLDLSTTEAVIAGIAAACQQAGCALLGGETAEMPNMYPPGEYDLAGFAVGAMERHQKLPQLERITEGDAVIGVASSGLHSNGFSLVRKIVERSSLQYSSPAPGGCGDQTLGDLLLTPTRIYSHSLLPIIRSGRVKAFAHITGGGLLENIPRVLPQKFGVDLDASTWRVPKVFSWLQQEGELSEEEMARTFNCGIGAALVVSKDQAEQVLHDVRRRQEEAWVIGSVVACPEDSPRVRVKNLIETIQTNGSLVANGFLKSNFPVQQKKARVAVLISGTGSNLQALIDSTRDPKSSSHIVLVISNKAAVAGLDRAERAGIPTRVINHKLYKNRVEFDNAVDHVLEEFSVDIVCLAGFMRILSGPFVRKWDGKMLNIHPSLLPSFKGSNAHEQVLEAGVTITGCTVHFVAEDVDAGQIILQEAVPVRRGDTVATLSERVKVAEHKIFPAALQLVASGAVQLREDGKIHWAKEQ
Inhibitor
Name:
BDBM50306576
Synonyms:
(S)-2-({5-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]-pyrimidin-6-yl)-butyl]-thiophene-2-carbonyl}-amino)-pentanedioicAcid | AGF71 | CHEMBL590740
Type:
Small organic molecule
Emp. Form.:
C20H23N5O6S
Mol. Mass.:
461.492
SMILES:
Nc1nc2[nH]c(CCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|