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BDBM704 (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-(2-phenoxyacetamido)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide::(R)-N-tert-Butyl-3-[(2S,3S)-2-hydroxy-3-(phenoxyacetyl)amino-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide::allophenylnorstatine deriv. 1

SMILES: CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)COc1ccccc1

InChI Key: InChIKey=JYRALUMTCIVLJG-FUDKSRODSA-N

Data: 1 Other

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to 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 = 704   
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
HIV-1 Protease


(Human immunodeficiency virus type 1)		BDBM704
PNG
((4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-(2-phenox...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)COc1ccccc1 |r|
Show InChI InChI=1S/C26H33N3O5S/c1-26(2,3)28-24(32)21-16-35-17-29(21)25(33)23(31)20(14-18-10-6-4-7-11-18)27-22(30)15-34-19-12-8-5-9-13-19/h4-13,20-21,23,31H,14-17H2,1-3H3,(H,27,30)(H,28,32)/t20-,21-,23-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/an/an/an/a6.037



Japan Energy Corporation



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...

J Med Chem 42: 1789-802 (1999)


Article DOI: 10.1021/jm980637h
BindingDB Entry DOI: 10.7270/Q2MG7MP3
More data for this
Ligand-Target Pair