BDBM13927 (2S,3S)-N-[(1S)-1-carbamoyl-2-methylpropyl]-2-{[(2S)-1-[(2S)-2-[(8S,11S)-8-(carbamoylmethyl)-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-2-hydroxyethyl]pyrrolidin-2-yl]formamido}-3-methylpentanamide::Macrocyclic Peptidomimetic Inhibitor 1
SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@H](O)[C@@H]1Cc2ccc(OCCCC(=O)N[C@@H](CC(N)=O)C(=O)N1)cc2)C(=O)N[C@@H](C(C)C)C(N)=O
InChI Key: InChIKey=NTXPPIBCRQQDJL-DNNFQJJYSA-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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HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM13927 ((2S,3S)-N-[(1S)-1-carbamoyl-2-methylpropyl]-2-{[(2...) | PDB MMDB B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | MMDB Article PubMed | 12 | -11.2 | 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 |