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SMILES: CC(=O)NCCOc1ccccc1NC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O

InChI Key: InChIKey=CRUKQOKBAZCGKG-IRXDYDNUSA-N

PDB links: 1 PDB ID matches this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50046845   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutamate carboxypeptidase 2


(Homo sapiens (Human))
BDBM50046845
PNG
(CHEMBL3309668)
Show SMILES CC(=O)NCCOc1ccccc1NC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C23H33N5O10/c1-14(29)24-12-13-38-18-8-3-2-6-15(18)26-22(36)25-11-5-4-7-16(20(32)33)27-23(37)28-17(21(34)35)9-10-19(30)31/h2-3,6,8,16-17H,4-5,7,9-13H2,1H3,(H,24,29)(H,30,31)(H,32,33)(H,34,35)(H2,25,26,36)(H2,27,28,37)/t16-,17-/m0/s1
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MMDB

KEGG

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CHEMBL
PC cid
PC sid
PDB
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Similars

PDB
Article
PubMed
0.377n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal Avi-tagged glutamate carboxypeptidase 2 extracellular domain (44 to 750 amino acids) using pteroyl-di-L-gl...


Bioorg Med Chem 22: 4099-108 (2014)


Article DOI: 10.1016/j.bmc.2014.05.061
BindingDB Entry DOI: 10.7270/Q2NK3GP8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)