Reaction Details Report a problem with these data
Target
Glutamate carboxypeptidase 2
Ligand
BDBM50613568
Substrate
n/a
Meas. Tech.
ChEMBL_2292558
Ki
9.3±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:
BDBM50613568
Synonyms:
CHEMBL5284385
Type:
Small organic molecule
Emp. Form.:
C36H60N8O15
Mol. Mass.:
844.9062
SMILES:
OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)CC1)C(O)=O)C(O)=O |r,wU:18.17,5.4,wD:21.21,10.10,(6.1,-45.66,;6.04,-44.12,;7.36,-43.32,;4.69,-43.39,;4.64,-41.85,;3.29,-41.12,;3.24,-39.58,;4.55,-38.77,;5.91,-39.5,;4.51,-37.23,;5.82,-36.42,;7.17,-37.15,;7.22,-38.69,;8.57,-39.42,;8.62,-40.96,;9.97,-41.69,;11.31,-40.92,;11.3,-39.38,;12.64,-41.69,;13.97,-40.91,;15.3,-41.69,;15.3,-43.23,;16.63,-44,;17.97,-43.24,;19.26,-44.07,;19.18,-45.61,;20.63,-43.37,;20.71,-41.83,;22.08,-41.13,;23.37,-41.96,;24.74,-41.26,;26.03,-42.1,;25.96,-43.63,;24.59,-44.34,;27.25,-44.48,;24.82,-39.72,;23.52,-38.89,;23.6,-37.35,;24.97,-36.65,;26.26,-37.49,;26.19,-39.03,;27.64,-36.79,;22.29,-36.49,;20.92,-37.21,;20.86,-38.74,;19.82,-37.59,;19.89,-36.05,;21.25,-35.34,;18.59,-35.22,;19.49,-39.46,;19.41,-41,;13.97,-43.99,;12.64,-43.23,;5.77,-34.89,;4.41,-34.15,;7.08,-34.08,;1.98,-41.93,;.61,-41.2,;2.02,-43.47,)|
Structure:
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