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BDBM228812 RJPXD33Δ6::TNLYML-CONH2

SMILES: CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(N)=O

InChI Key: InChIKey=HSXIORLYNAAHGS-IAMJUUTASA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 228812   
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
UDP-N-acetylglucosamine acryltransferase (LpxA)


(Escherichia coli (Enterobacteria))		BDBM228812
PNG
(RJPXD33Δ6 | TNLYML-CONH2)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C34H56N8O9S/c1-17(2)13-23(29(37)46)39-30(47)22(11-12-52-6)38-32(49)25(15-20-7-9-21(44)10-8-20)41-31(48)24(14-18(3)4)40-33(50)26(16-27(35)45)42-34(51)28(36)19(5)43/h7-10,17-19,22-26,28,43-44H,11-16,36H2,1-6H3,(H2,35,45)(H2,37,46)(H,38,49)(H,39,47)(H,40,50)(H,41,48)(H,42,51)/t19-,22+,23+,24+,25+,26+,28+/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.30E+4n/an/an/a8.0n/a



University of Michigan



Assay Description
The fluorescence polarization assay was performed as previously described [Jenkins et al., ACS Chem. Biol., 7:1170-1177]. In 384-well black Costar pl...

J Biol Chem 289: 15527-35 (2014)


Article DOI: 10.1074/jbc.M114.564278
BindingDB Entry DOI: 10.7270/Q2RV0MJP
More data for this
Ligand-Target Pair