Covpdb









Ligand
Ligand Name:   Narlaprevir
Ligand Type:   non-polymer
Ligand ID:   COVPDB1146 PubChem:   11857239
Synonym(s):  
  •   865466-24-6
  • sch900518
  • sch 900518
  • unii-2857la2o07
  • sch-900518
  • 2857la2o07
  • (1r,2s,5s)-3-(n-(((1-((tert-butylsulfonyl)methyl)cyclohexyl)amino)carbonyl)-3-methyl-l- valyl)-n-((1s)-1-((cyclopropylamino)(oxo)acetyl)pentyl)-6,6-dimethyl-3- azabicyclo(3.1.0)hexane-2-carboxamide
  • narlaprevir [usan:inn]
  • narlaprevir (usan/inn)
  • schembl583183
  • chembl1255891
  • c36h61n5o7s
  • tqp0852
  • 3912ah
  • zinc68151111
  • cs-0445
  • sb16894
  • (1r,2s,5s)-n-((1s)-1-(2-(cyclopropylamino)-2-oxoacetyl)pentyl)-3-((2s)-2-(((1-(((1,1- dimethylethyl)sulfonyl)methyl)cyclohexyl)carbamoyl)amino)-3,3-dimethylbutanoyl)-6,6- dimethyl-3-azabicyclo(3.1.0)hexane-2-carboxamide
  • 3-azabicyclo(3.1.0)hexane-2-carboxamide, n-((1s)-1-(2-(cyclopropylamino)-2- oxoacetyl)pentyl)-3-((2s)-2-((((1-(((1,1-dimethylethyl)sulfonyl)methyl)cyclohexyl) amino)carbonyl)amino)-3,3-dimethyl-1-oxobutyl)-6,6-dimethyl-, (1r,2s,5s)-
  • hy-10300
  • d09644
  • w-5628
  • q27254268
  • (1r,2s,5s)-3-((s)-2-(3-(1-((tert-butylsulfonyl)methyl)cyclohexyl)ureido)-3,3-dimethylbutanoyl)-n-((s)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
  • (1r,2s,5s)-3-[(2s)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-n-[(3s)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
  • (1r,2s,5s)-3-[n-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-l-valyl]-n-[(3s)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
  • (1s,4s,5r)-3-[(2s)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethyl-butanoyl]-n-[(1s)-1-[2-(cyclopropylamino)-2-oxo-acetyl]pentyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide
  • (3s)-n-cyclopropyl-3-{[(1r,2s,5s)-3-[(2s)-3,3-dimethyl-2-[({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]formamido}-2-oxoheptanamide
show 27 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL1255891
Canonical SMILES:   C1CC1NC(=O)C(=O)[C@H](CCCC)NC(=O)[C@H]([C@H]([C@H]23)C3(C)C)N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC4(CS(=O)(=O)C(C)(C)C)CCCCC4
Standard InChI:   InChI=1S/C36H61N5O7S/c1-10-11-15-24(27(42)30(44)37-22-16-17-22)38-29(43)26-25-23(35(25,8)9)20-41(26)31(45)28(33(2,3)4)39-32(46)40-36(18-13-12-14-19-36)21-49(47,48)34(5,6)7/h22-26,28H,10-21H2,1-9H3,(H,37,44)(H,38,43)(H2,39,40,46)/t23-,24-,25-,26-,28+/m0/s1
Molecular Formula:   C36H61N5O7S Mol. Weight:   707.4292 logP:   3.6222
HBD:   4 HBA:   7
#Rotatable Bonds:   13 TPSA:   170.85

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Replicase polyprotein 1ab P0DTD1 (R1AB_SARS2) Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) (SARS-CoV-2) 6XQT NNA
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