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SMILES: CCCO[C@@H](Oc1cccc(c1)C#Cc1ccc(cc1)C#Cc1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2[NH3+])c1)[C@H]([NH3+])[C@@H](O)CO

InChI Key: InChIKey=URLSHMXTAPCBHO-KBRSZUJGSA-P

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 153370   
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
Short-chain Z-isoprenyl diphosphate synthase


(Mycobacterium tuberculosis H37Rv)		BDBM153370
PNG
(BPH-1424)
Show SMILES CCCO[C@@H](Oc1cccc(c1)C#Cc1ccc(cc1)C#Cc1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2[NH3+])c1)[C@H]([NH3+])[C@@H](O)CO |r|
Show InChI InChI=1S/C35H40N2O9/c1-2-17-43-34(30(36)28(40)20-38)44-26-7-3-5-24(18-26)15-13-22-9-11-23(12-10-22)14-16-25-6-4-8-27(19-25)45-35-31(37)33(42)32(41)29(21-39)46-35/h3-12,18-19,28-35,38-42H,2,17,20-21,36-37H2,1H3/p+2/t28-,29+,30+,31+,32+,33+,34-,35+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



University of California San Diego



Assay Description
The IC50 values for the most active hits were verified by radiometric assay as follows. A mixture of 15 µM cis-FPP, 100 nM DPPS, and inhibitors in th...

Chem Biol Drug Des 85: 756-69 (2015)


Article DOI: 10.1111/cbdd.12463
BindingDB Entry DOI: 10.7270/Q2ZG6QZN
More data for this
Ligand-Target Pair