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BDBM50423701 CHEMBL576268

SMILES: CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCSC)C(O)=O

InChI Key: InChIKey=ZIMWKPHXTCJFQK-NTIKPUAMSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50423701   
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
Cysteine synthase


(Haemophilus influenzae (strain ATCC 51907 / DSM 11...)
BDBM50423701
PNG
(CHEMBL576268)
Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCSC)C(O)=O |r|
Show InChI InChI=1S/C22H38N6O9S/c1-4-11(2)18(22(36)37)28-16(30)10-25-20(34)13(5-6-17(31)32)26-21(35)14(9-15(24)29)27-19(33)12(23)7-8-38-3/h11-14,18H,4-10,23H2,1-3H3,(H2,24,29)(H,25,34)(H,26,35)(H,27,33)(H,28,30)(H,31,32)(H,36,37)/t11-,12-,13-,14-,18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.29E+6n/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Binding affinity to Haemophilus influenzae O-acetylserine sulfhydrylase expressed in Escherichia coli BL21 (DE3) by fluorescence emission spectra ana...


J Med Chem 53: 345-56 (2010)


Article DOI: 10.1021/jm901325e
BindingDB Entry DOI: 10.7270/Q2QZ2C8P
More data for this
Ligand-Target Pair