BDBM330048 (2R,5S,13aR)-8-hydroxy-7,9-dioxo-N-(2,4,6-trifluorobenzyl)-2,3,4,5,7,9,13,13a-octahydro-2,5-methanopyrido[1′,2′:4,5]pyrazino[2, 1-b][1,3]oxazepine-10-carboxamide::Bicte-gravir::US10689399, Compound 42::US11548901, Compound 42::US9663528, 42

SMILES: c1c(cc(c(c1F)CNC(=O)C2=CN3C[C@@H]4N([C@H]5CC[C@H](C5)O4)C(=O)C3=C(C2=O)O)F)F

InChI Key: InChIKey=SOLUWJRYJLAZCX-UHFFFAOYSA-N

Data: 1 KI  4 IC50  1 EC50

PDB links: 4 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 330048   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Solute carrier family 22 member 2 (Human)	BDBM330048 (US9663528, 42 | (2R,5S,13aR)-8-hydroxy-7,9-dioxo-N...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	487	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
POU domain, class 2, transcription factor 2 (Human)	BDBM330048 (US9663528, 42 | (2R,5S,13aR)-8-hydroxy-7,9-dioxo-N...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	487	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Solute carrier family 22 member 2 (Human)	BDBM330048 (US9663528, 42 | (2R,5S,13aR)-8-hydroxy-7,9-dioxo-N...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	487	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus type 1)	BDBM330048 (US9663528, 42 | (2R,5S,13aR)-8-hydroxy-7,9-dioxo-N...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus type 1)	BDBM330048 (US9663528, 42 | (2R,5S,13aR)-8-hydroxy-7,9-dioxo-N...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	3.10	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM330048 (US9663528, 42 | (2R,5S,13aR)-8-hydroxy-7,9-dioxo-N...) Show SMILES Show InChI	GoogleScholar	UniChem		3.02E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair