BDBM104104 N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(3-phenylpropyl)amino]-2-hydroxy-1- (phenylmethyl)propyl]-3-hydroxy-benzamide (AF-69)

SMILES: c1ccc(cc1)CCC[N@@](C[C@H]([C@H](Cc2ccccc2)NC(=O)c3cccc(c3)O)O)S(=O)(=O)c4ccc5c(c4)scn5

InChI Key: InChIKey=OLPAULVXKPQQPH-UHFFFAOYSA-N

Data: 5 KI

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 5 hits for monomerid = 104104   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
HIV-1 protease (Human immunodeficiency virus)	BDBM104104 (N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(3-phenylp...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Gag-Pol polyprotein [484-582,I494L,I497V,V499I,D514N,E519D,R541K,D544E,Q553K,N572D,L573M] (Human immunodeficiency virus)	BDBM104104 (N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(3-phenylp...) Show SMILES Show InChI	GoogleScholar	UniChem		2.00	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [484-582,I494L,I497V,V499I,E519D,I534V,R541K,D544E,Q553K,A555V,L573M] (Human immunodeficiency virus)	BDBM104104 (N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(3-phenylp...) Show SMILES Show InChI	GoogleScholar	UniChem		2.27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [484-582,I497V,V499I,E519D,R541K,D544E,Q553K,A555V,G557S,I568V,L574M,L573M] (Human immunodeficiency virus)	BDBM104104 (N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(3-phenylp...) Show SMILES Show InChI	GoogleScholar	UniChem		9.96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [484-582,I497V,V499I,E519D,G532V,I538V,R541K,D544E,Q553K,V566A,L573M] (Human immunodeficiency virus)	BDBM104104 (N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(3-phenylp...) Show SMILES Show InChI	GoogleScholar	UniChem		19.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair