BDBM13928 2-[(8S,11S)-11-[(1R)-2-[benzene(3-methylbutyl)sulfonamido]-1-hydroxyethyl]-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-8-yl]acetamide::Macrocyclic Peptidomimetic Inhibitor 2
SMILES: CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCC(=O)N[C@@H](CC(N)=O)C(=O)N1)cc2)S(=O)(=O)c1ccccc1
InChI Key: InChIKey=HOUHLOFMBSYNBO-KKUQBAQOSA-N
Data: 1 KI
PDB links: 1 PDB ID matches this monomer. 2 PDB IDs contain 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 |
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HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM13928 (2-[(8S,11S)-11-[(1R)-2-[benzene(3-methylbutyl)sulf...) | PDB MMDB B.MOAD GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 0.600 | -13.1 | n/a | n/a | n/a | n/a | n/a | 6.5 | 37 |
University of Queensland | Assay Description he Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in fl... | Biochemistry 38: 7978-88 (1999) Article DOI: 10.1021/bi990174x BindingDB Entry DOI: 10.7270/Q20000B3 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |