BDBM17863 Amino-Alcohol Inhibitor, 12::methyl 2-[(2S)-2-[(2S,3R)-3-amino-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanamido]propanamido]acetate

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

InChI Key: InChIKey=KTNRONBAQGRLNO-CKLFPEKLSA-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 = 17863   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Methionine aminopeptidase (Escherichia coli (strain K12))	BDBM17863 (Amino-Alcohol Inhibitor, 12 | methyl 2-[(2S)-2-[(2...) Show SMILES COC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](O)[C@H](N)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C16H20F3N3O5/c1-8(14(25)21-7-11(23)27-2)22-15(26)13(24)12(20)9-3-5-10(6-4-9)16(17,18)19/h3-6,8,12-13,24H,7,20H2,1-2H3,(H,21,25)(H,22,26)/t8-,12+,13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	7.5	30
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 Structure (crystal)