Ligand
Ligand Name:   GW311616A
Ligand Type:   non-polymer
Ligand ID:   COVPDB287 PubChem:   9800961
Synonym(s):  
  •   gw311616
  • 198062-54-3
  • gw-311616
  • unii-l8012v52pn
  • gw-311616a
  • l8012v52pn
  • 197890-44-1 (hcl)
  • (3s,3as,6ar)-hexahydro-3-(1-methylethyl)-1-(methylsulfonyl)-4-[(2e)-1-oxo-4-(1-piperidinyl)-2-buten-1-yl]-pyrrolo[3,2-b]pyrrol-2(1h)-one, monohydrochloride
  • (3s,3as,6ar)-3-isopropyl-1-(methanesulfonyl)-4-[4-(1-piperidinyl)-2(e)-butenoyl]perhydropyrrolo[3,2b]pyrrol-2(1h)-one hydrochloride
  • (+)-gw-311616
  • schembl6620439
  • chembl2367812
  • bcp11029
  • zinc3959300
  • cs-3126
  • ncgc00390674-01
  • hy-15891
  • pyrrolo(3,2-b)pyrrol-2(1h)-one, hexahydro-3-(1-methylethyl)-1-(methylsulfonyl)-4-((2e)-1-oxo-4-(1-piperidinyl)-2-buten-1-yl)-, (3s,3as,6ar)-
  • pyrrolo(3,2-b)pyrrol-2(1h)-one, hexahydro-3-(1-methylethyl)-1-(methylsulfonyl)-4-((2e)-1-oxo-4-(1-piperidinyl)-2-butenyl)-, (3s,3as,6ar)-
  • pyrrolo(3,2-b)pyrrol-2(1h)-one, hexahydro-3-(1-methylethyl)-1-(methylsulfonyl)-4-(1-oxo-4-(1-piperidinyl)-2-butenyl)-, (3s-(3alpha,3aalpha,4(e),6abeta))-
  • b4675
  • q27282819
  • (3abeta,6aalpha)-1-(methylsulfonyl)-3beta-isopropyl-4-(4-piperidino-2-butenoyl)octahydropyrrolo[3,2-b]pyrrole-2-one
  • (3ar,6s,6as)-4-methylsulfonyl-1-[(e)-4-piperidin-1-ylbut-2-enoyl]-6-propan-2-yl-3,3a,6,6a-tetrahydro-2h-pyrrolo[3,2-b]pyrrol-5-one
show 23 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL2367812
Canonical SMILES:   CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)\C=C\CN2CCCCC2)N(C1=O)S(C)(=O)=O
Standard InChI:   InChI=1S/C19H31N3O4S/c1-14(2)17-18-15(22(19(17)24)27(3,25)26)9-13-21(18)16(23)8-7-12-20-10-5-4-6-11-20/h7-8,14-15,17-18H,4-6,9-13H2,1-3H3/b8-7+/t15-,17+,18-/m1/s1
Molecular Formula:   C19H31N3O4S Mol. Weight:   397.20352 logP:   1.072
HBD:   0 HBA:   5
#Rotatable Bonds:   5 TPSA:   78.0

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Chymotrypsin-like elastase family member 1 P00772 (CELA1_PIG) Sus scrofa (Pig) 1HV7 616
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