Covpdb









Ligand
Ligand Name:   Methyl isatin-7-carboxylate
Ligand Type:   non-polymer
Ligand ID:   COVPDB341 PubChem:   1946733
Synonym(s):  
  •   methyl 2,3-dioxoindoline-7-carboxylate
  • 103030-10-0
  • methyl2,3-dioxoindoline-7-carboxylate
  • methyl 2,3-dioxo-1h-indole-7-carboxylate
  • methyl 7-isatincarboxylate
  • methyl 2,3-dioxo-2,3-dihydro-1h-indole-7-carboxylate
  • 5323-55-7
  • 2,3-dioxo-2,3-dihydro-1h-indole-7-carboxylic acid methyl ester
  • 1h-indole-7-carboxylic acid, 2,3-dihydro-2,3-dioxo-, methyl ester
  • methyl 2,3-bis(oxidanylidene)-1~{h}-indole-7-carboxylate
  • 7-methoxycarbonylisatin
  • cds1_003893
  • cbmicro_017397
  • mls001029555
  • divk1c_004933
  • ind060
  • schembl3365625
  • chembl1570589
  • dtxsid50908168
  • hms2810g03
  • albb-019978
  • amy31467
  • ccg-6166
  • zinc2332288
  • anw-47836
  • mfcd00612499
  • stk862364
  • akos000265842
  • methyl 2,3-dioxoindole-7-carboxylate
  • mcule-2476449230
  • ak-32111
  • ds-11752
  • smr000425002
  • bim-0017465.p001
  • db-002104
  • cs-0043118
  • ft-0651569
  • st50975439
  • x8637
  • s-4444
  • ab00080736-01
  • 2,3-dioxoindoline-7-carboxylic acid methyl ester
  • sr-01000204592
  • sr-01000204592-1
  • methyl 2,3-dioxo-1h-benzo[d]azolidine-7-carboxylate
  • n-(3-[1,3]dioxolan-2-yl-pyridin-4-yl)-2,2-dimethylpropionamide
  • 1-carbazol-9-yl-3-[4-(3-phenyl-allyl)-piperazin-1-yl]-propan-2-ol
show 46 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL1570589
Canonical SMILES:   COC(=O)c(ccc1)c(c12)NC(=O)C2=O
Standard InChI:   InChI=1S/C10H7NO4/c1-15-10(14)6-4-2-3-5-7(6)11-9(13)8(5)12/h2-4H,1H3,(H,11,12,13)
Molecular Formula:   C10H7NO4 Mol. Weight:   205.0375 logP:   0.608
HBD:   1 HBA:   4
#Rotatable Bonds:   1 TPSA:   72.47

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Parkinson disease protein 7 Q99497 (PARK7_HUMAN) Homo sapiens (Human) 6AFF 72U Kd : 3900 nM PDBBind SHOW