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BDBM17338 (2S)-2-{[(2S)-1-({2-[(1S)-1-aminoethyl]-1,3-oxazol-4-yl}carbonyl)pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid::AoxSPW

SMILES: C[C@H](N)c1nc(co1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O

InChI Key: InChIKey=FBRCDLGEWAXPMI-IWEFOYFVSA-N

Data: 1 Kd

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 = 17338   
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
XIAP-BIR3


(Homo sapiens (human))
BDBM17338
PNG
((2S)-2-{[(2S)-1-({2-[(1S)-1-aminoethyl]-1,3-oxazol...)
Show SMILES C[C@H](N)c1nc(co1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C22H25N5O5/c1-12(23)20-26-17(11-32-20)21(29)27-8-4-7-18(27)19(28)25-16(22(30)31)9-13-10-24-15-6-3-2-5-14(13)15/h2-3,5-6,10-12,16,18,24H,4,7-9,23H2,1H3,(H,25,28)(H,30,31)/t12-,16-,18-/m0/s1
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Similars

MMDB
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Article
PubMed
n/an/an/a 3.00E+4n/an/an/a7.022



Princeton University



Assay Description
AVPC-badan can be displaced from the binding pocket of the protein by test compounds. As the dye is displaced from the binding pocket, the emission i...


Bioorg Med Chem 15: 2935-43 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)