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SMILES: COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCCC(F)(F)F)S(=O)(=O)c1ccc2ncsc2c1)C(F)(F)F

InChI Key: InChIKey=FCCUBIDUIRSDDV-WHODAWOQSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 180223   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)		BDBM180223
PNG
(US9133157, 105)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCCC(F)(F)F)S(=O)(=O)c1ccc2ncsc2c1)C(F)(F)F |r|
Show InChI InChI=1S/C36H34F6N4O6S3/c1-52-34(49)44-31(30(22-9-4-2-5-10-22)23-11-6-3-7-12-23)33(48)45-32(36(40,41)42)28-16-15-27(54-28)26(20-47)46(18-8-17-35(37,38)39)55(50,51)24-13-14-25-29(19-24)53-21-43-25/h2-7,9-16,19,21,26,30-32,47H,8,17-18,20H2,1H3,(H,44,49)(H,45,48)/t26-,31+,32-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 1.77n/an/an/an/a5.525



Merck Canada Inc.

US Patent


Assay Description
The inhibition of WT HIV-1 protease was studied using the reaction of the protease (expressed in Eschericia coli) with a peptide substrate [Val-Ser-G...

US Patent US9133157 (2015)


BindingDB Entry DOI: 10.7270/Q2Q52NDV
More data for this
Ligand-Target Pair