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SMILES: COCCOCCOCCOCCOCCOCCOCCOc1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C(O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)cc1

InChI Key: InChIKey=ABCWSIGLFMCQCE-YRYHPRDQSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 468564   
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
HIV-1 protease


(Human immunodeficiency virus)		BDBM468564
PNG
(US10806794, Compound mPEG7-O-Darunavir)
Show SMILES COCCOCCOCCOCCOCCOCCOCCOc1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C(O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)cc1 |r|
Show InChI InChI=1S/C42H67N3O15S/c1-32(2)29-45(61(48,49)36-10-6-34(43)7-11-36)30-39(46)38(44-42(47)60-40-31-59-41-37(40)12-13-58-41)28-33-4-8-35(9-5-33)57-27-26-56-25-24-55-23-22-54-21-20-53-19-18-52-17-16-51-15-14-50-3/h4-11,32,37-41,46H,12-31,43H2,1-3H3,(H,44,47)/t37-,38-,39?,40-,41+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.358n/an/an/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...

US Patent US10806794 (2020)


BindingDB Entry DOI: 10.7270/Q2QR516Q
More data for this
Ligand-Target Pair