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BDBM17864 Amino-Alcohol Inhibitor, 13::methyl (2S)-2-[(2S)-2-[(2S,3R)-3-amino-2-hydroxy-3-[4-(propan-2-yl)phenyl]propanamido]propanamido]-4-methylpentanoate

SMILES: COC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](O)[C@H](N)c1ccc(cc1)C(C)C

InChI Key: InChIKey=WIWZNHHLFMPGGO-FZDIXFNVSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 17864   
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
Methionine aminopeptidase


(Escherichia coli (strain K12))		BDBM17864
PNG
(Amino-Alcohol Inhibitor, 13 | methyl (2S)-2-[(2S)-...)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](O)[C@H](N)c1ccc(cc1)C(C)C |r|
Show InChI InChI=1S/C22H35N3O5/c1-12(2)11-17(22(29)30-6)25-20(27)14(5)24-21(28)19(26)18(23)16-9-7-15(8-10-16)13(3)4/h7-10,12-14,17-19,26H,11,23H2,1-6H3,(H,24,28)(H,25,27)/t14-,17-,18+,19-/m0/s1
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KEGG

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UniProtKB/TrEMBL

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DrugBank
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AffyNet 
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/a 3.50E+3n/an/an/an/a7.530



The Procter & Gamble Pharmaceuticals



Assay Description
The inhibitory activity of a compound toward EcMAP was measured by incubating the compound at various concentrations in the presence of the enzyme an...

Proteins 66: 538-46 (2007)


Article DOI: 10.1002/prot.21207
BindingDB Entry DOI: 10.7270/Q2MK6B5Q
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)