BDBM17341 (2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]propanamido]pentanediamido]hexanamido]-3-hydroxypropanamido]pentanedioic acid::AVPIAQKSE::L-alanyl-L-valyl-L-prolyl-L-isoleucyl-L-alanyl-L-glutaminyl-L-lysyl-L-seryl-L-glutamic acid

SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI Key InChIKey=KOTUIJBXPGUBTH-GDVWXNPYSA-N

Data  2 KI  1 IC50

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 17341   

LigandPNGBDBM17341((2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2...)
Affinity DataKi:  500nM ΔG°:  -8.50kcal/molepH: 7.2 T: 2°CAssay Description:Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...More data for this Ligand-Target Pair
TargetE3 ubiquitin-protein ligase XIAP [241-356](Homo sapiens (Human))
Genentech

LigandPNGBDBM17341((2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2...)
Affinity DataKi:  670nM ΔG°:  -8.33kcal/molepH: 7.2 T: 2°CAssay Description:Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Humboldt Universit£T Zu Berlin

Curated by ChEMBL
LigandPNGBDBM17341((2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2...)
Affinity DataIC50:  400nMAssay Description:Displacement of fluorescent H-Abu-Arg-Pro-Phe-Lys-NH-FAM-NH2 peptide from XIAP BIR3 domain by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed