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
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ML-IAP-BIR (Homo sapiens (Human)) | BDBM17341 ((2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2...) | PDB MMDB B.MOAD GoogleScholar AffyNet | KEGG PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 500 | -8.50 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech | Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... | ACS Chem Biol 1: 525-33 (2006) Article DOI: 10.1021/cb600276q BindingDB Entry DOI: 10.7270/Q2G15Z34 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
XIAP-BIR3 (Homo sapiens (Human)) | BDBM17341 ((2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | 670 | -8.33 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech | Assay Description Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... | ACS Chem Biol 1: 525-33 (2006) Article DOI: 10.1021/cb600276q BindingDB Entry DOI: 10.7270/Q2G15Z34 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human)) | BDBM17341 ((2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Humboldt-Universit£t zu Berlin Curated by ChEMBL | Assay Description Displacement of fluorescent H-Abu-Arg-Pro-Phe-Lys-NH-FAM-NH2 peptide from XIAP BIR3 domain by fluorescence polarization assay | Bioorg Med Chem Lett 21: 4993-7 (2011) Article DOI: 10.1016/j.bmcl.2011.05.027 BindingDB Entry DOI: 10.7270/Q2NK3FG5 | |||||||||||
More data for this Ligand-Target Pair |