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BDBM17865 Amino-Alcohol Inhibitor, 14::methyl (2S)-2-[(2S)-2-[(2S,3R)-3-amino-2-hydroxyheptanamido]-3-hydroxypropanamido]-4-methylpentanoate

SMILES: CCCC[C@@H](N)[C@H](O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)OC

InChI Key: InChIKey=ZERLQNOHSLWIIV-RFGFWPKPSA-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 = 17865   
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 (MAP)


(Escherichia coli (strain K12))		BDBM17865
PNG
(Amino-Alcohol Inhibitor, 14 | methyl (2S)-2-[(2S)-...)
Show SMILES CCCC[C@@H](N)[C@H](O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)OC |r|
Show InChI InChI=1S/C17H33N3O6/c1-5-6-7-11(18)14(22)16(24)20-13(9-21)15(23)19-12(8-10(2)3)17(25)26-4/h10-14,21-22H,5-9,18H2,1-4H3,(H,19,23)(H,20,24)/t11-,12+,13+,14+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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AffyNet 
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/a 1.20E+4n/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)