Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 616.1 BDBM50510468

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50510468 (CHEMBL4593844) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)Cn1cnc2c(Cl)nc(N)nc12 |r| Show InChI InChI=1S/C28H34ClN7O5S/c1-18(2)14-36(42(39,40)21-11-9-20(41-3)10-12-21)15-23(37)22(13-19-7-5-4-6-8-19)32-24(38)16-35-17-31-25-26(29)33-28(30)34-27(25)35/h4-12,17-18,22-23,37H,13-16H2,1-3H3,(H,32,38)(H2,30,33,34)/t22-,23+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Science and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrat...				Bioorg Med Chem Lett 29: 1541-1545 (2019) Article DOI: 10.1016/j.bmcl.2019.03.049 BindingDB Entry DOI: 10.7270/Q20P13BM
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