BDBM12206 (2S)-N-[(2S,3R)-3-hydroxy-4-{[4-(N'-hydroxycarbamimidoyl)benzene](2-methylpropyl)sulfonamido}-1-phenylbutan-2-yl]-3-methyl-2-{3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl}butanamide::benzenesulfonamide analog 16

SMILES: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(cc1)C(=N)NO

InChI Key: InChIKey=OTCQJTJPPZIOEV-YPKYBTACSA-N

Data: 1 IC50

PDB links: 1 PDB ID contains 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 = 12206   

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)	BDBM12206 ((2S)-N-[(2S,3R)-3-hydroxy-4-{[4-(N'-hydroxycarbami...) Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(cc1)C(=N)NO |r| Show InChI InChI=1S/C34H47N7O6S2/c1-22(2)18-40(49(46,47)28-13-11-26(12-14-28)32(35)38-45)20-30(42)29(17-25-9-7-6-8-10-25)37-33(43)31(23(3)4)41-16-15-39(34(41)44)19-27-21-48-24(5)36-27/h6-14,21-23,29-31,42,45H,15-20H2,1-5H3,(H2,35,38)(H,37,43)/t29-,30+,31-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	143	n/a	n/a	n/a	n/a	4.5	30
Abbott Laboratories					Assay Description HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...				Bioorg Med Chem Lett 15: 2275-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.008 BindingDB Entry DOI: 10.7270/Q2SQ8XNQ
					More data for this Ligand-Target Pair