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BDBM59220 Pepstatin analog, 8

SMILES: CC(C)C[C@@H](NC(=O)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(C)O)C(=O)NCCc1ccc(O)c(O)c1

InChI Key: InChIKey=UECLJRBMXUBULO-KDKFKOLISA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 59220   
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
Human herpesvirus 1 protease


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)		BDBM59220
PNG
(Pepstatin analog, 8)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(C)O)C(=O)NCCc1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C47H72N6O11/c1-31(2)27-35(44(60)49-26-25-34-23-24-38(55)39(56)29-34)51-46(62)43(32(3)54)53-42(59)22-18-13-11-9-7-5-4-6-8-10-12-17-21-41(58)50-36(30-40(48)57)45(61)52-37(47(63)64)28-33-19-15-14-16-20-33/h14-16,19-20,23-24,29,31-32,35-37,43,54-56H,4-13,17-18,21-22,25-28,30H2,1-3H3,(H2,48,57)(H,49,60)(H,50,58)(H,51,62)(H,52,61)(H,53,59)(H,63,64)/t32?,35-,36-,37+,43-/m1/s1
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 600n/a 2.90E+3n/an/an/an/a5.52n/a



Purdue University



Assay Description
A zhang-poorman assay confirms a competitive inhibition mechanism or inhibit HIV-1 PR as a dimerization or mixed type inhibitor.

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