Ligand
Ligand Name:   Ebsulfur
Ligand Type:   non-polymer
Ligand ID:   COVPDB443 PubChem:   164981
Synonym(s):  
  •   2-phenyl-1,2-benzothiazol-3-one
  • 2527-03-9
  • 1,2-benzisothiazol-3(2h)-one, 2-phenyl-
  • 2-phenyl-1,2-benzisothiazol-3(2h)-one
  • pz-25
  • pd086291
  • 2-phenyl-1,2-benzisothiazol-3-(2h)-one
  • mls-0107957.0001
  • 2-phenyl-3-thiaisoindolin-1-one
  • pz 25
  • mls000537191
  • chembl45152
  • cid_164981
  • pz25
  • schembl1898397
  • bdbm46667
  • dtxsid50179917
  • hms2355f10
  • kuc103442n
  • zinc478097
  • 2-phenyl-benzo[d]isothiazol-3-one
  • kuc103442n-2
  • kuc103442n-03
  • 2-phenylbenzo[d]isothiazol-3(2h)-one
  • ksc-325-052
  • 2-phenyl-1,2-benzothiazol-3-one (1)
  • ncgc00247195-01
  • 2-phenyl-1,2-benzisothiazol-3(2h)-on
  • rp 62373
  • rp-62373
  • smr000163733
  • 2-phenyl-1,2-benzoisothiazol-3(2h)-one
  • unm-0000305795
  • ag-690/40083036
show 33 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL45152
Canonical SMILES:   c1cccc(c12)sn(c2=O)-c3ccccc3
Standard InChI:   InChI=1S/C13H9NOS/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
Molecular Formula:   C13H9NOS Mol. Weight:   227.04048 logP:   3.0522
HBD:   0 HBA:   3
#Rotatable Bonds:   1 TPSA:   22.0

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Superoxide dismutase [Cu-Zn] P00441 (SODC_HUMAN) Homo sapiens (Human) 5O3Y 9JK
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