Reaction Details Report a problem with these data
Target
Glutamate carboxypeptidase 2
Ligand
BDBM50613563
Substrate
n/a
Meas. Tech.
ChEMBL_2292558
Ki
13±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:
BDBM50613563
Synonyms:
CHEMBL5282249
Type:
Small organic molecule
Emp. Form.:
C49H71N9O16
Mol. Mass.:
1042.1387
SMILES:
OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1cccc2ccccc12)NC(=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:18.31,33.34,5.4,wD:36.38,10.10,(34.77,-41.16,;33.45,-40.37,;33.49,-38.82,;32.1,-41.11,;30.78,-40.31,;29.43,-41.05,;28.12,-40.25,;28.15,-38.71,;29.5,-37.97,;26.84,-37.91,;26.87,-36.37,;28.22,-35.63,;29.54,-36.43,;30.89,-35.69,;32.2,-36.49,;33.55,-35.75,;34.9,-36.5,;34.93,-38.04,;36.22,-35.7,;37.57,-36.44,;37.58,-37.97,;36.26,-38.75,;36.28,-40.28,;37.61,-41.03,;38.93,-40.24,;40.26,-40.99,;41.57,-40.21,;41.55,-38.67,;40.22,-37.94,;38.91,-38.72,;36.19,-34.16,;37.5,-33.36,;37.47,-31.82,;38.85,-34.1,;40.16,-33.3,;41.51,-34.05,;41.54,-35.59,;42.89,-36.33,;44.2,-35.52,;45.56,-36.26,;45.59,-37.8,;46.87,-35.46,;46.84,-33.92,;48.16,-33.12,;49.51,-33.87,;50.83,-33.07,;52.18,-33.81,;52.21,-35.35,;50.89,-36.15,;53.56,-36.1,;50.79,-31.53,;49.45,-30.79,;49.41,-29.25,;50.73,-28.45,;52.08,-29.2,;52.11,-30.74,;53.41,-28.4,;48.05,-28.49,;46.73,-29.29,;46.78,-30.83,;45.66,-29.76,;45.62,-28.22,;46.93,-27.41,;44.26,-27.48,;45.46,-31.64,;45.49,-33.18,;40.22,-36.38,;38.88,-35.64,;25.55,-35.57,;24.2,-36.31,;25.59,-34.03,;29.4,-42.59,;28.05,-43.34,;30.72,-43.4,)|
Structure:
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