BDBM13166 (2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide::Capped Tripeptide Analog 2::H-N-Me-Ala-Tle-Pro-(R)-tetrahydronaphth-1-yl Amide
SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C
InChI Key: InChIKey=JUJIMRZGUBTJRV-NASSWSRMSA-N
Data: 1 Kd
PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
XIAP-BIR3 (Homo sapiens (Human)) | BDBM13166 ((2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)p...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars | DrugBank MMDB PDB Article PubMed | n/a | n/a | n/a | 12 | n/a | n/a | n/a | 7.4 | 22 |
Abbott Laboratories | Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari... | J Med Chem 47: 4417-26 (2004) Article DOI: 10.1021/jm040037k BindingDB Entry DOI: 10.7270/Q27M065Q | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |