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](C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@@H]1CCCN1C[C@@H]([C@@H]2Cc3ccc(cc3)OCCCC(=O)N[C@H](C(=O)N2)CC(=O)N)O

InChI Key InChIKey=NTXPPIBCRQQDJL-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 13927   

TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A](Human immunodeficiency virus type 1)
University of Queensland

LigandPNGBDBM13927((2S,3S)-N-[(1S)-1-carbamoyl-2-methylpropyl]-2-{[(2...)
Affinity DataKi:  12nM ΔG°:  -11.2kcal/molepH: 6.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2007
Entry Details Article
PubMed