BDBM702 (2R,3R,4R,5R)-2,5-bis[(2-fluorophenyl)sulfanyl]-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]hexanediamide::Diol-Based HIV-1 protease inhibitor 15::N1,N6-Di-[(1S)-2-methyl-1-(methylcarbamoyl)propyl]-(2R,3R,4R,5R)-2,5-di(2-fluorophenylsulfanyl)-3,4-dihydroxyhexanediamide

SMILES: CNC(=O)[C@@H](NC(=O)[C@H](Sc1ccccc1F)[C@H](O)[C@@H](O)[C@@H](Sc1ccccc1F)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C

InChI Key: InChIKey=RRSJFIZKJZRETD-XOGRSFEHSA-N

Data: 1 KI

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 = 702   

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)	BDBM702 ((2R,3R,4R,5R)-2,5-bis[(2-fluorophenyl)sulfanyl]-3,...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](Sc1ccccc1F)[C@H](O)[C@@H](O)[C@@H](Sc1ccccc1F)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r| Show InChI InChI=1S/C30H40F2N4O6S2/c1-15(2)21(27(39)33-5)35-29(41)25(43-19-13-9-7-11-17(19)31)23(37)24(38)26(44-20-14-10-8-12-18(20)32)30(42)36-22(16(3)4)28(40)34-6/h7-16,21-26,37-38H,1-6H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)/t21-,22-,23+,24+,25+,26+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.570	-12.8	n/a	n/a	n/a	n/a	n/a	5.0	30
Stockholm 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: 3402-6 (2001) Article DOI: 10.1021/jm0011169 BindingDB Entry DOI: 10.7270/Q2R78CCC
					More data for this Ligand-Target Pair