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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 51(CYP51) Mutant (F78L)' and Ligand = 'BDBM25816'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 51(CYP51) Mutant (F78L)


(Mycobacterium tuberculosis)
BDBM25816
PNG
(2-(2,1,3-benzothiadiazole-4-sulfonamido)-2-phenyl-...)
Show SMILES O=C(Nc1ccncc1)C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1
Show InChI InChI=1S/C19H15N5O3S2/c25-19(21-14-9-11-20-12-10-14)17(13-5-2-1-3-6-13)24-29(26,27)16-8-4-7-15-18(16)23-28-22-15/h1-12,17,24H,(H,20,21,25)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 2.32E+4n/an/an/a7.537



University of California at San Francisco



Assay Description
The assay was developed based on the optical spectral property of P450 enzyme to elicit both type I and type II spectral changes (350 nm through 450 ...


Antimicrob Agents Chemother 51: 3915-23 (2007)


Article DOI: 10.1128/AAC.00311-07
BindingDB Entry DOI: 10.7270/Q20V8B3R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)