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BDBM81676 CARB-KB49

SMILES: CNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C[C@@H](C)O)S(=O)(=O)c1ccco1

InChI Key: InChIKey=JDVGPVUPVOHYRZ-NZSAHSFTSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 81676   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
HIV-1 protease


(Human immunodeficiency virus)
BDBM81676
PNG
(CARB-KB49)
Show SMILES CNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C[C@@H](C)O)S(=O)(=O)c1ccco1
Show InChI InChI=1S/C22H31N3O7S/c1-16(26)14-25(33(30,31)22-9-6-12-32-22)15-19(27)18(13-17-7-4-3-5-8-17)24-21(29)11-10-20(28)23-2/h3-9,12,16,18-19,26-27H,10-11,13-15H2,1-2H3,(H,23,28)(H,24,29)/t16-,18+,19-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
540n/an/an/an/an/an/an/an/a



University of Maryland



Assay Description
Inhibition assay using HIV protease and Sulfonamide compounds.


Chem Biol Drug Des 69: 298-313 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00514.x
BindingDB Entry DOI: 10.7270/Q2TQ6011
More data for this
Ligand-Target Pair