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BDBM153316 BPH-640

SMILES: OC(c1cccc(c1)-c1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)(O)=O

InChI Key: InChIKey=QLUPVXJJKKYIHH-UHFFFAOYSA-N

Data: 2 IC50

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 = 153316   
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
cis-Decaprenyl diphosphate synthase (cis-DPPS)


(Mycobacterium tuberculosis H37Rv)
BDBM153316
PNG
(BPH-640)
Show SMILES OC(c1cccc(c1)-c1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C19H18O7P2/c20-19(27(21,22)23,28(24,25)26)18-11-5-10-17(13-18)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-13,20H,(H2,21,22,23)(H2,24,25,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 610n/an/an/an/an/an/a



University of California San Diego



Assay Description
We screened an in-house library of 19 compounds using cis-FPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by DP...


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

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cis-Decaprenyl diphosphate synthase (cis-DPPS)


(Mycobacterium tuberculosis H37Rv)
BDBM153316
PNG
(BPH-640)
Show SMILES OC(c1cccc(c1)-c1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C19H18O7P2/c20-19(27(21,22)23,28(24,25)26)18-11-5-10-17(13-18)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-13,20H,(H2,21,22,23)(H2,24,25,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 410n/an/an/an/an/an/a



University of California San Diego



Assay Description
We screened an in-house library of 43 compounds using GPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by DPPS w...


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

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)