Covpdb









Ligand
Ligand Name:   Methyl-3,4-dephostatin
Ligand Type:   non-polymer
Ligand ID:   COVPDB1236 PubChem:   1607
Synonym(s):  
  •   3,4-dephostatin
  • me-3,4-dephostatin
  • 3,4-dihydroxy-n-methyl-n-nitrosoaniline
  • 4-[methyl(nitroso)amino]benzene-1,2-diol
  • 173043-84-0
  • n-(3,4-dihydroxyphenyl)-n-methylnitrous amide
  • lopac-m-9440
  • l2037 (beta-lapachone)
  • p00017
  • lopac0_000871
  • schembl3894012
  • chembl1256623
  • schembl13448407
  • bdbm81347
  • eu0100871_purchased
  • 4-[(hydroxyamino)-methylamino]cyclohexa-3,5-diene-1,2-dione
  • dtxsid801017608
  • hms3262p03
  • zinc3870870
  • tox21_500871
  • hsci1_000165
  • 3,4-dihydroxy-n-methyl-n-nitrosaline
  • akos006275313
  • ccg-204953
  • lp00871
  • sdccgsbi-0050846.p002
  • ncgc00015706-01
  • ncgc00015706-02
  • ncgc00015706-03
  • ncgc00015706-04
  • ncgc00094195-01
  • ncgc00094195-02
  • ncgc00261556-01
  • eu-0100871
  • m9440
  • m 9440
  • methyl-3,4-dephostatin, >98% (hplc), powder
  • n-(3,4-dihydroxyphenyl)-n-methyl-nitrous amide
  • sr-01000076015
  • sr-01000076015-1
  • q27464530
show 40 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL1256623
Canonical SMILES:   O=NN(C)c1ccc(O)c(c1)O
Standard InChI:   InChI=1S/C7H8N2O3/c1-9(8-12)5-2-3-6(10)7(11)4-5/h2-4,10-11H,1H3
Molecular Formula:   C7H8N2O3 Mol. Weight:   168.0535 logP:   1.2154
HBD:   2 HBA:   4
#Rotatable Bonds:   2 TPSA:   73.13

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Golgi-associated PDZ and coiled-coil motif-containing protein Q9HD26 (GOPC_HUMAN) Homo sapiens (Human) 5IC3 PQR
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