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: 3 PDB IDs match this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50335522   

TargetSerum paraoxonase/arylesterase 1(Homo sapiens (Human))
Atatürk University

LigandPNGBDBM50335522((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
Affinity DataKi:  1.83E+7nMAssay 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...More data for this Ligand-Target Pair
TargetAlbumin(Homo sapiens (Human))
CNRS-CPBS/UMR 5236

Curated by ChEMBL
LigandPNGBDBM50335522((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
Affinity DataKd:  1.20E+4nMAssay Description:Binding affinity to first site on human serum albumin by SPRMore data for this Ligand-Target Pair