BindingDB logo
myBDB logout

null

SMILES: [Na+].[Na+].CCCCCCCCCCCCCCCC(=O)N[C@H]1[C@@H](OP(O)([O-])=O)O[C@H](CO)[C@@H](OP(O)([O-])=O)[C@@H]1OC(=O)CCCCCCCCCCCCCCC

InChI Key: InChIKey=RTVGBVGLZQPRIH-BZCILRKHSA-L

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 1 hit for monomerid = 50255633   
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
Lymphocyte antigen 96


(Homo sapiens (Human))		BDBM50255633
PNG
(CHEMBL4091601)
Show SMILES [Na+].[Na+].CCCCCCCCCCCCCCCC(=O)N[C@H]1[C@@H](OP(O)([O-])=O)O[C@H](CO)[C@@H](OP(O)([O-])=O)[C@@H]1OC(=O)CCCCCCCCCCCCCCC |r|
Show InChI InChI=1S/C38H75NO13P2.2Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(41)39-35-37(36(51-53(43,44)45)32(31-40)49-38(35)52-54(46,47)48)50-34(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h32,35-38,40H,3-31H2,1-2H3,(H,39,41)(H2,43,44,45)(H2,46,47,48);;/q;2*+1/p-2/t32-,35-,36-,37-,38-;;/m1../s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 6.70E+4n/an/an/an/an/a



Department of Biotechnology and Biosciences , University of Milano-Bicocca , Piazza della Scienza, 2 , 20126 Milano , Italy.

Curated by ChEMBL


Assay Description
Binding to C-terminal His6-tagged human MD2 expressed in Pichia pastoris GS115 by surface plasmon resonance assay

J Med Chem 61: 2895-2909 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01803
BindingDB Entry DOI: 10.7270/Q21N83KC
More data for this
Ligand-Target Pair