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BDBM50335522 (2S,4R)-N-((1R,2R)-2-hydroxy-1-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)-tetrahydro-2H-pyran-2-yl)propyl)-1-methyl-4-propylpyrrolidine-2-carboxamide::(2S,4R)-N-((1S)-2-hydroxy-1-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)-tetrahydro-2H-pyran-2-yl)propyl)-1-methyl-4-propylpyrrolidine-2-carboxamide::1-Methyl-4-propyl-pyrrolidine-2-carboxylic acid [2-hydroxy-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide::CHEMBL1447::Cillimycin::Frademicina::LINCOMYCIN::Lincocin::Lincomycin hydrochloride::lincomycin A

SMILES: CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O

InChI Key: InChIKey=OJMMVQQUTAEWLP-KIDUDLJLSA-N

Data: 1 KI  1 Kd

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 2 hits for monomerid = 50335522   
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
Serum paraoxonase/arylesterase 1


(Homo sapiens (Human))
BDBM50335522
PNG
((2S,4R)-N-((1R,2R)-2-hydroxy-1-((2R,3R,4S,5R,6R)-3...)
Show SMILES CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1
KEGG

UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

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Similars

PubMed
1.83E+7n/an/an/an/an/an/an/an/a



Atatürk University



Assay Description
PON activities were measured in the presence of different drug concentrations. Control activity was assumed to be 100% in the absence of inhibitor. E...


J Enzyme Inhib Med Chem 28: 758-64 (2013)

More data for this
Ligand-Target Pair
Serum albumin


(Homo sapiens)
BDBM50335522
PNG
((2S,4R)-N-((1R,2R)-2-hydroxy-1-((2R,3R,4S,5R,6R)-3...)
Show SMILES CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
AffyNet 
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CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 1.20E+4n/an/an/an/an/a



CNRS-CPBS/UMR 5236

Curated by ChEMBL


Assay Description
Binding affinity to first site on human serum albumin by SPR


Antimicrob Agents Chemother 53: 1528-31 (2009)

More data for this
Ligand-Target Pair