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SMILES: [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@]([H])(NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSCc3cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1)cc(CSC[C@H](NC2=O)C(=O)NCC(N)=O)c3)[C@@H](C)CC

InChI Key: InChIKey=MYUKULIOPOGDJL-PLJBVYDCSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50196060   
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
Sortase family protein


(Staphylococcus aureus)		BDBM50196060
PNG
(CHEMBL3916850)
Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@]([H])(NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSCc3cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1)cc(CSC[C@H](NC2=O)C(=O)NCC(N)=O)c3)[C@@H](C)CC |r|
Show InChI InChI=1S/C82H125N19O21S4/c1-11-43(6)66-80(120)93-56(27-42(4)5)81(121)101-24-13-15-63(101)82(122)100-23-12-14-62(100)79(119)98-59(70(110)86-32-65(85)106)38-124-35-48-28-49-30-50(29-48)37-126-40-61(78(118)95-57(33-102)75(115)94-58(34-103)76(116)99-66)97-73(113)54(26-41(2)3)91-69(109)46(9)87-68(108)45(8)88-71(111)52(20-21-64(84)105)89-74(114)55(31-47-16-18-51(104)19-17-47)92-72(112)53(22-25-123-10)90-77(117)60(39-125-36-49)96-67(107)44(7)83/h16-19,28-30,41-46,52-63,66,102-104H,11-15,20-27,31-40,83H2,1-10H3,(H2,84,105)(H2,85,106)(H,86,110)(H,87,108)(H,88,111)(H,89,114)(H,90,117)(H,91,109)(H,92,112)(H,93,120)(H,94,115)(H,95,118)(H,96,107)(H,97,113)(H,98,119)(H,99,116)/t43-,44-,45-,46-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,66-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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GoogleScholar
AffyNet 
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KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
 9.40E+3n/an/an/an/an/an/an/an/a



Ecole Polytechnique F�d�rale de Lausanne

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus His6-biotinylated SrtA expressed in Escherichia coli XL1-blue using Dabcyl-LPETG-Edans as substrate assessed as r...

ACS Med Chem Lett 7: 606-11 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00045
BindingDB Entry DOI: 10.7270/Q24M96G7
More data for this
Ligand-Target Pair