BDBM359 (2R,3R,4R,5R)-2,5-bis[(2-fluorophenyl)methoxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide::1-Valine Methylamide deriv. 12::N1,N6-Bis-[(2R)-hydroxy-1(S)-indanyl]-(2R,3R,4R,5R)-2.5-bis-(2-fluorobenzyloxy)-3,4-dihydroxyhexanediamide

SMILES: O[C@H]([C@@H](O)[C@@H](OCc1ccccc1F)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OCc1ccccc1F)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12

InChI Key: InChIKey=LYHLPPXMBKMSSZ-JQFCFGFHSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer. 3 PDB IDs contain this monomer as substructures. 3 PDB IDs contain inhibitors having a similarity of 90% to 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 = 359   

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
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM359 ((2R,3R,4R,5R)-2,5-bis[(2-fluorophenyl)methoxy]-3,4...) Show SMILES O[C@H]([C@@H](O)[C@@H](OCc1ccccc1F)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OCc1ccccc1F)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C38H38F2N2O8/c39-27-15-7-3-11-23(27)19-49-35(37(47)41-31-25-13-5-1-9-21(25)17-29(31)43)33(45)34(46)36(50-20-24-12-4-8-16-28(24)40)38(48)42-32-26-14-6-2-10-22(26)18-30(32)44/h1-16,29-36,43-46H,17-20H2,(H,41,47)(H,42,48)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article PubMed	3.26	-11.8	n/a	n/a	n/a	n/a	n/a	5.0	30
Linkoping University					Assay Description A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...				J Med Chem 44: 3083-91 (2001) Article DOI: 10.1021/jm001134q BindingDB Entry DOI: 10.7270/Q2DZ06GR
					More data for this Ligand-Target Pair