Covpdb









Ligand
Ligand Name:   carfilzomib
Ligand Type:   peptide-like
Ligand ID:   COVPDB181 PubChem:   11556711
Synonym(s):  
  •   868540-17-4
  • kyprolis
  • carfilzomib (pr-171)
  • pr-171
  • unii-72x6e3j5ar
  • carfilzomib (pr171)
  • 72x6e3j5ar
  • chembl451887
  • chebi:65347
  • ncgc00249613-01
  • dsstox_cid_28616
  • dsstox_rid_82886
  • dsstox_gsid_48690
  • (s)-4-methyl-n-((s)-1-(((s)-4-methyl-1-((r)-2-methyloxiran-2-yl)-1-oxopentan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)-2-((s)-2-(2-morpholinoacetamido)-4-phenylbutanamido)pentanamide
  • n-{(2s)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl}-l-leucyl-n-{(2s)-4-methyl-1-[(2r)-2-methyloxiran-2-yl]-1-oxopentan-2-yl}-l-phenylalaninamide
  • (2s)-4-methyl-n-[(2s)-1-[[(2s)-4-methyl-1-[(2r)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2s)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanamide
  • (alphas)-alpha-[[2-(4-morpholinyl)acetyl]amino]benzenebutanoyl-l-leucyl-n-[(1s)-3-methyl-1-[[(2r)-2-methyl-2-oxiranyl]carbonyl]butyl]-l-phenylalaninamide
  • (s)-4-methyl-n-((s)-1-((s)-4-methyl-1-((r)-2-methyloxiran-2-yl)-1-oxopentan-2-ylamino)-1-oxo-3-phenylpropan-2-yl)-2-((s)-2-(2-morpholinoacetamido)-4-phenylbutanamido)pentanamide
  • cas-868540-17-4
  • carfilzomib [usan:inn]
  • mfcd11040997
  • kyprolis (tn)
  • carfilzomib(pr171)
  • carfilzomib; pr171
  • schembl85165
  • cc-684
  • mls006011102
  • carfilzomib (jan/usan/inn)
  • gtpl7420
  • qcr-96
  • carfilzomib?pr-171?/kyprolis
  • dtxsid4048690
  • amy4357
  • c40h57n5o7
  • aob87759
  • ex-a2037
  • ono-7057
  • tox21_113079
  • bdbm50277889
  • nsc756640
  • nsc758252
  • s2853
  • zinc49841054
  • akos025401910
  • tox21_113079_1
  • ccg-270405
  • cs-0984
  • cs-w004540
  • db08889
  • nsc-756640
  • nsc-758252
  • sb16813
  • ncgc00249613-02
  • ncgc00249613-03
  • ncgc00249613-11
  • ncgc00249613-13
  • ac-27051
  • ak546882
  • as-17059
  • hy-10455
  • smr004660024
  • ab0008111
  • sw218090-2
  • y0441
  • d08880
  • s-7798
  • ab01565867_02
  • sr-01000941582
  • j-501773
  • sr-01000941582-1
  • q15366934
  • (2s)-n-((1s)-1-benzyl-2-(((1s)-3-methyl-1-(((2r)-2-methyloxiran-2-yl)carbonyl)butyl)amino)-2-oxoethyl)-4-methyl-2-(((2s)-2-((morpholin-4-ylacetyl)amino)-4-phenylbutanoyl)amino)pentanamide
  • (alphas)-alpha-((4-morpholinylacetyl)amino)benzenebutanoyl-l-leucyl-n-((1s)-3-methyl-1-(((2r)-2-methyloxiranyl)carbonyl)butyl)-l-phe nylalaninamide
  • (s)-4-methyl-n-((s)-1-((s)-4-methyl-1-((r)-2- methyloxiran-2-yl)-1 -oxopentan-2-ylamino)-1-oxo-3-phenylpropan-2-yl)-2-((s)-2-(2-morpholinoacetamido)-4-phenylbutanamido)pentanamide
  • l-phenylalaninamide, (alphas)-alpha-((4-morpholinylacetyl)amino)benzenebutanoyl-l-leucyl-n-((1s)-3-methyl-1-(((2r)-2-methyloxiranyl)carbonyl)butyl)-
show 74 synonym(s)
DrugBank:   DB08889 ChEMBL:   CHEMBL451887
Canonical SMILES:   c1ccccc1C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc3ccccc3)NC(=O)CN4CCOCC4
Standard InChI:   InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,40+/m0/s1
Molecular Formula:   C40H57N5O7 Mol. Weight:   719.4258 logP:   2.5835
HBD:   4 HBA:   8
#Rotatable Bonds:   20 TPSA:   158.47

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Proteasome subunit beta type-1 P38624 (PSB1_YEAST) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) 5D0S 3BV
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Proteasome subunit beta type-1 P38624 (PSB1_YEAST) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) 6HWE GWZ
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SHOW