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SMILES: COc1cccc(CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(O)=O)C(C)O)c1

InChI Key: InChIKey=FLSRXPNPNJNRGI-XFRXXAMDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 59217   
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
Capsid scaffolding protein


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM59217
PNG
(Pepstatin analog, 5)
Show SMILES COc1cccc(CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(O)=O)C(C)O)c1 |r|
Show InChI InChI=1S/C48H74N6O10/c1-33(2)29-38(45(59)50-28-27-36-23-20-24-37(30-36)64-4)52-47(61)44(34(3)55)54-43(58)26-19-14-12-10-8-6-5-7-9-11-13-18-25-42(57)51-39(32-41(49)56)46(60)53-40(48(62)63)31-35-21-16-15-17-22-35/h15-17,20-24,30,33-34,38-40,44,55H,5-14,18-19,25-29,31-32H2,1-4H3,(H2,49,56)(H,50,59)(H,51,57)(H,52,61)(H,53,60)(H,54,58)(H,62,63)/t34?,38-,39-,40+,44-/m1/s1
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.29E+3n/a 4.90E+3n/an/an/an/a5.52n/a



Purdue University



Assay Description
The competitive assay requires two inhibitors to act by a purely competitive mechanism, whereas the binding site of on the inhibitors has been establ...

Chem Biol 12: 439-44 (2005)


Article DOI: 10.1016/j.chembiol.2005.02.004
BindingDB Entry DOI: 10.7270/Q2JD4V68
More data for this
Ligand-Target Pair