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SMILES: CC(C)C[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@H](CO)C[C@@H]1CCNC1=O

InChI Key: InChIKey=SAJPBSLYYTVXRY-QAETUUGQSA-N

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 = 423468   
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
Replicase polyprotein 1ab


(SARS coronavirus Urbani)
BDBM423468
PNG
(WO2006061714, P39.3 | WO2006061714-ID-13)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@H](CO)C[C@@H]1CCNC1=O
Show InChI InChI=1S/C20H36N4O5/c1-11(2)8-16(24-20(29)17(12(3)4)22-13(5)26)19(28)23-15(10-25)9-14-6-7-21-18(14)27/h11-12,14-17,25H,6-10H2,1-5H3,(H,21,27)(H,22,26)(H,23,28)(H,24,29)/t14-,15-,16-,17-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO
n/an/a 9.70E+7n/an/an/an/an/an/a



Pfizer Inc.



Assay Description
Proteolytic activity of Coronavirus 3C protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS 3CI_pro FRET as...


WIPO (2006)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423468
PNG
(WO2006061714, P39.3 | WO2006061714-ID-13)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@H](CO)C[C@@H]1CCNC1=O
Show InChI InChI=1S/C20H36N4O5/c1-11(2)8-16(24-20(29)17(12(3)4)22-13(5)26)19(28)23-15(10-25)9-14-6-7-21-18(14)27/h11-12,14-17,25H,6-10H2,1-5H3,(H,21,27)(H,22,26)(H,23,28)(H,24,29)/t14-,15-,16-,17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO
n/an/a 9.70E+4n/an/an/an/an/an/a



Pfizer Inc.



Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO (2005)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
More data for this
Ligand-Target Pair