BDBM194 (5R,6R)-1,5-dibenzyl-6-hydroxy-2,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-1,2,4-triazepan-3-one::(5r,6r)-2,4-bis-(4-hydroxy-3-methoxybenzyl)-1,5- dibenzyl-3-oxo-6-hydroxy-1,2,4-triazacycloheptane::A-98881
SMILES: COc1cc(CN2[C@H](Cc3ccccc3)[C@H](O)CN(Cc3ccccc3)N(Cc3ccc(O)c(OC)c3)C2=O)ccc1O
InChI Key: InChIKey=PMBZSBGCSQGJAQ-GRKNLSHJSA-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) | BDBM194 ((5R,6R)-1,5-dibenzyl-6-hydroxy-2,4-bis[(4-hydroxy-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 0.00500 | -15.7 | n/a | n/a | n/a | n/a | n/a | 4.7 | 30 |
Abbott Laboratories | Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-GABA-Ser-Gln-Tyr-P... | J Med Chem 39: 392-7 (1996) Article DOI: 10.1021/jm9507183 BindingDB Entry DOI: 10.7270/Q2V40SC6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |