BDBM20995 (2R)-2-[(2R)-3-(benzylsulfanyl)-2-[1-(4-phenylphenyl)acetamido]propanamido]-5-[(diaminomethylidene)amino]-N-[(1S)-2-(4-hydroxyphenyl)-1-[(2-phenylethyl)carbamoyl]ethyl]pentanamide::Tripeptide derivative, 2
SMILES: [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1
InChI Key: InChIKey=SEGBBQOGKYETCG-IWSHAHEXSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Procathepsin L (Homo sapiens (Human)) | BDBM20995 ((2R)-2-[(2R)-3-(benzylsulfanyl)-2-[1-(4-phenylphen...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 155 | -9.28 | n/a | n/a | n/a | n/a | n/a | 5.5 | 25 |
National Research Council Canada | Assay Description Fluorescence was monitored on a SPEX Fluorolog-2 spectrofluorometer with the excitation and emission wavelengths set at 380 and 440 nm, respectively.... | J Med Chem 51: 1361-8 (2008) Article DOI: 10.1021/jm701190v BindingDB Entry DOI: 10.7270/Q21Z42QB | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |