BDBM104108 N-[(1S,2R)-3-[(Cyclohexylmethyl)[(4-methoxyphenyl)sulfonyl]amino]-2-hydroxy-1- (phenylmethyl)propyl]-3-hydroxy-benzamide (AF-77)

SMILES: COc1ccc(cc1)S(=O)(=O)[N@@](CC2CCCCC2)C[C@H]([C@H](Cc3ccccc3)NC(=O)c4cccc(c4)O)O

InChI Key: InChIKey=SYWUYTFGNQDWGW-UHFFFAOYSA-N

Data: 5 KI  6 EC50

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 11 hits for monomerid = 104108   

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
Gag-Pol polyprotein [489-892] (Human immunodeficiency virus)	BDBM104108 (N-[(1S,2R)-3-[(Cyclohexylmethyl)[(4-methoxyphenyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	47.3	n/a	n/a	n/a	n/a
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HIV WT-A pol protein (wild-type clade A) (Human immunodeficiency virus type 1)	BDBM104108 (N-[(1S,2R)-3-[(Cyclohexylmethyl)[(4-methoxyphenyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	38.4	n/a	n/a	n/a	n/a
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Gag-Pol polyprotein [489-892,N526H,R530K,V566I,I582L,V648I,Q690K,I723V,C750S,T788A,Q795E,T874A,V881I,P882Q] (Human immunodeficiency virus)	BDBM104108 (N-[(1S,2R)-3-[(Cyclohexylmethyl)[(4-methoxyphenyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	22.4	n/a	n/a	n/a	n/a
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HIV WT-C pol protein (wild-type clade C) (Human immunodeficiency virus)	BDBM104108 (N-[(1S,2R)-3-[(Cyclohexylmethyl)[(4-methoxyphenyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	65.7	n/a	n/a	n/a	n/a
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MDRC4 (Human immunodeficiency virus)	BDBM104108 (N-[(1S,2R)-3-[(Cyclohexylmethyl)[(4-methoxyphenyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	106	n/a	n/a	n/a	n/a
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MDR1 (Human immunodeficiency virus)	BDBM104108 (N-[(1S,2R)-3-[(Cyclohexylmethyl)[(4-methoxyphenyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	86.9	n/a	n/a	n/a	n/a
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Gag-Pol polyprotein [484-582,I494L,I497V,V499I,D514N,E519D,R541K,D544E,Q553K,N572D,L573M] (Human immunodeficiency virus)	BDBM104108 (N-[(1S,2R)-3-[(Cyclohexylmethyl)[(4-methoxyphenyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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HIV-1 protease (Human immunodeficiency virus)	BDBM104108 (N-[(1S,2R)-3-[(Cyclohexylmethyl)[(4-methoxyphenyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		0.546	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Gag-Pol polyprotein [484-582,I497V,V499I,E519D,G532V,I538V,R541K,D544E,Q553K,V566A,L573M] (Human immunodeficiency virus)	BDBM104108 (N-[(1S,2R)-3-[(Cyclohexylmethyl)[(4-methoxyphenyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		2.04	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Gag-Pol polyprotein [484-582,I497V,V499I,E519D,R541K,D544E,Q553K,A555V,G557S,I568V,L574M,L573M] (Human immunodeficiency virus)	BDBM104108 (N-[(1S,2R)-3-[(Cyclohexylmethyl)[(4-methoxyphenyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		2.47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Gag-Pol polyprotein [484-582,I494L,I497V,V499I,E519D,I534V,R541K,D544E,Q553K,A555V,L573M] (Human immunodeficiency virus)	BDBM104108 (N-[(1S,2R)-3-[(Cyclohexylmethyl)[(4-methoxyphenyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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