BDBM163651 MbA-GRX (5)::mini-MbA
SMILES: C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2cc(O)c(O)c(O)c2)[C@H](O[C@@H]2O[C@H](COC(=O)\C=C\c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
InChI Key: InChIKey=YHIHWLPOKDIYGF-ZLGVOOGTSA-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 |
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Pancreatic alpha-amylase (HPA) (Homo sapiens (Human)) | BDBM163651 (MbA-GRX (5) | mini-MbA) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 93.3 | -9.74 | n/a | n/a | n/a | n/a | n/a | n/a | 30 |
University of British Columbia | Assay Description Inhibitor concentrations varied from 0.25 to 5 times the Ki value in 50 mM sodium phosphate, 100 mM sodium chloride buffer, pH 7.0, at 30 °C. 2-Chlor... | Nat Chem Biol 11: 691-6 (2015) Article DOI: 10.1038/nchembio.1865 BindingDB Entry DOI: 10.7270/Q2KD1WP4 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |