Reaction Details Report a problem with these data
Target
Glutamate carboxypeptidase 2
Ligand
BDBM50613569
Substrate
n/a
Meas. Tech.
ChEMBL_2292558
Ki
21±n/a nM
Citation
 Bene?ová, M; Bauder-Wüst, U; Schäfer, M; Klika, KD; Mier, W; Haberkorn, U; Kopka, K; Eder, M Linker Modification Strategies To Control the Prostate-Specific Membrane Antigen (PSMA)-Targeting and Pharmacokinetic Properties of DOTA-Conjugated PSMA Inhibitors. J Med Chem 59:1761-75 (2016) [PubMed] 
Target
Name:
Glutamate carboxypeptidase 2
Synonyms:
FGCP | FOLH | FOLH1 | FOLH1_HUMAN | Folate hydrolase 1 | Folylpoly-gamma-glutamate carboxypeptidase | Glutamate carboxypeptidase 2 | Glutamate carboxypeptidase II | Membrane glutamate carboxypeptidase | N-acetylated-alpha-linked acidic dipeptidase I | NAALAD1 | NAALADase I | PSM | PSMA | Prostate-specific membrane antigen | Pteroylpoly-gamma-glutamate carboxypeptidase | mGCP
Type:
PROTEIN
Mol. Mass.:
84333.66
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1497035
Residue:
750
Sequence:
MWNLLHETDSAVATARRPRWLCAGALVLAGGFFLLGFLFGWFIKSSNEATNITPKHNMKAFLDELKAENIKKFLYNFTQIPHLAGTEQNFQLAKQIQSQWKEFGLDSVELAHYDVLLSYPNKTHPNYISIINEDGNEIFNTSLFEPPPPGYENVSDIVPPFSAFSPQGMPEGDLVYVNYARTEDFFKLERDMKINCSGKIVIARYGKVFRGNKVKNAQLAGAKGVILYSDPADYFAPGVKSYPDGWNLPGGGVQRGNILNLNGAGDPLTPGYPANEYAYRRGIAEAVGLPSIPVHPIGYYDAQKLLEKMGGSAPPDSSWRGSLKVPYNVGPGFTGNFSTQKVKMHIHSTNEVTRIYNVIGTLRGAVEPDRYVILGGHRDSWVFGGIDPQSGAAVVHEIVRSFGTLKKEGWRPRRTILFASWDAEEFGLLGSTEWAEENSRLLQERGVAYINADSSIEGNYTLRVDCTPLMYSLVHNLTKELKSPDEGFEGKSLYESWTKKSPSPEFSGMPRISKLGSGNDFEVFFQRLGIASGRARYTKNWETNKFSGYPLYHSVYETYELVEKFYDPMFKYHLTVAQVRGGMVFELANSIVLPFDCRDYAVVLRKYADKIYSISMKHPQEMKTYSVSFDSLFSAVKNFTEIASKFSERLQDFDKSNPIVLRMMNDQLMFLERAFIDPLGLPDRPFYRHVIYAPSSHNKYAGESFPGIYDALFDIESKVDPSKAWGEVKRQIYVAAFTVQAAAETLSEVA
  
Inhibitor
Name:
BDBM50613569
Synonyms:
CHEMBL5272927
Type:
Small organic molecule
Emp. Form.:
C44H73N9O16
Mol. Mass.:
984.1011
SMILES:
OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H]1CC[C@H](CNC(=O)[C@H]2CC[C@H](CNC(=O)CN3CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC3)CC2)CC1)C(O)=O)C(O)=O |r,wU:18.17,26.25,5.4,wD:21.21,29.29,10.10,(10.74,-15.74,;9.43,-14.92,;9.49,-13.38,;8.07,-15.64,;6.76,-14.82,;5.4,-15.55,;4.1,-14.73,;4.15,-13.19,;5.51,-12.47,;2.85,-12.37,;2.9,-10.83,;4.26,-10.11,;5.57,-10.93,;6.93,-10.21,;8.23,-11.03,;9.59,-10.3,;9.61,-8.76,;8.28,-7.97,;10.95,-8.01,;10.96,-6.46,;12.31,-5.71,;13.63,-6.5,;14.97,-5.74,;16.3,-6.53,;17.64,-5.77,;17.66,-4.23,;18.97,-6.56,;20.31,-5.8,;21.63,-6.58,;21.62,-8.13,;22.94,-8.91,;24.29,-8.15,;25.58,-8.99,;25.51,-10.52,;26.95,-8.28,;27.03,-6.75,;28.4,-6.04,;29.69,-6.88,;31.06,-6.18,;32.36,-7.01,;32.28,-8.55,;30.91,-9.26,;33.58,-9.39,;31.14,-4.64,;29.85,-3.8,;29.92,-2.26,;31.3,-1.56,;32.59,-2.4,;32.51,-3.94,;33.96,-1.7,;28.61,-1.41,;27.25,-2.12,;27.18,-3.66,;26.14,-2.51,;26.21,-.97,;27.58,-.26,;24.91,-.14,;25.81,-4.37,;25.74,-5.91,;20.28,-8.88,;18.95,-8.09,;13.62,-8.04,;12.28,-8.79,;1.6,-10.02,;.24,-10.74,;1.65,-8.48,;5.35,-17.09,;3.98,-17.81,;6.65,-17.91,)|
Structure:
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