Ligand
Ligand Name:   Ebselen
Ligand Type:   non-polymer
Ligand ID:   COVPDB444 PubChem:   3194
Synonym(s):  
  •   60940-34-3
  • 2-phenyl-1,2-benzisoselenazol-3(2h)-one
  • ebselenum
  • 2-phenyl-1,2-benzoselenazol-3-one
  • ebselene
  • ebseleno
  • 2-phenylbenzo[d][1,2]selenazol-3(2h)-one
  • spi-1005
  • ebselene [french]
  • ebselenum [latin]
  • ebselen [inn]
  • ebseleno [spanish]
  • pz 51
  • c13h9nose
  • harmokisane
  • pz-51
  • dr-3305
  • mls000028488
  • unii-40x2p7dpgh
  • ccris 3714
  • pz51
  • 1,2-benzisoselenazol-3(2h)-one, 2-phenyl-
  • 2-phenyl-1,2-benzisoselenazolin-3-one
  • smr000058445
  • 2-phenyl-1,2-benzoisoselenazol-3(2h)-one
  • chembl51085
  • nsc 639762
  • prestwick_1057
  • spi-3005
  • prestwick0_000740
  • prestwick1_000740
  • prestwick2_000740
  • prestwick3_000740
  • spectrum2_001441
  • spectrum3_000799
  • spectrum4_000445
  • spectrum5_001713
  • lopac-e-3520
  • nsc639762
  • 40x2p7dpgh
  • lopac0_000541
  • ncgc00015412-06
  • bspbio_000700
  • bspbio_001342
  • bspbio_002538
  • cpd000058445
  • kbiogr_000062
  • kbiogr_000830
  • kbioss_000062
  • divk1c_000951
  • spbio_001301
  • spbio_002639
  • cas-60940-34-3
  • mls001148646
  • bpbio1_000770
  • bcbcmap01_000149
  • chebi:77543
  • hms502p13
  • kbio1_000951
  • kbio2_000062
  • kbio2_002630
  • kbio2_005198
  • kbio3_000123
  • kbio3_000124
  • kbio3_001758
  • ninds_000951
  • e 3520
  • bio2_000062
  • bio2_000542
  • hms1361d04
  • hms1570c22
  • hms1791d04
  • hms1989d04
  • hms2052n09
  • 2-phenyl-benzo[d]isoselenazol-3-one
  • dr3305
  • mfcd00210937
  • nsc-639762
  • ac-1124
  • idi1_000951
  • idi1_033812
  • qtl1_000035
  • ncgc00015412-01
  • ncgc00015412-02
  • ncgc00015412-03
  • ncgc00015412-13
  • ncgc00024072-03
  • ncgc00024072-04
  • ncgc00024072-05
  • ncgc00178610-01
  • ncgc00178610-02
  • ncgc00178610-03
  • ab00053217
  • eu-0100541
  • mls-0003066.0001
  • brd-k29359156-001-06-1
  • dr 3305
  • rp 60931
  • sr-01000003081
  • ac1l1fdw
  • cid3194
  • ccg-39161
  • ebselen (c5)
  • ebselen, 99%
  • nchembio.109-comp1
  • 2-phenyl-1,2-benzoselenazol-3(2h)-one
  • ls-33527
  • sam001247071
  • opera_id_1643
  • ebselen, cysteine modifier
  • cid_3194
  • dsstox_cid_25150
  • dsstox_rid_80704
  • c042986
  • dsstox_gsid_45150
  • schembl33829
  • mls001424261
  • mls006010108
  • e3520_sigma
  • i09-1611
  • dtxsid7045150
  • bdbm34233
  • gtpl10583
  • chebi:175507
  • hms2097c22
  • hms2235a11
  • hms3394n09
  • hms3402d04
  • hms3649o05
  • hms3714c22
  • hms3873n13
  • kuc112559n
  • pharmakon1600-01501188
  • bcp17134
  • ex-a1447
  • spi-1005;pz-51
  • tox21_110140
  • dap001372
  • nsc757883
  • s6676
  • akos015898841
  • cs-5534
  • db12610
  • lp00541
  • nc00431
  • nsc-757883
  • sdccgsbi-0050524.p004
  • ksc-325-014
  • ncgc00015412-04
  • ncgc00015412-05
  • ncgc00015412-07
  • ncgc00015412-08
  • ncgc00015412-09
  • ncgc00015412-10
  • ncgc00015412-11
  • ncgc00015412-12
  • ncgc00015412-21
  • phenyl-1,2-benzisoselenazol-3(2h)-one
  • 2-phenyl-1,2-benzisoselazol-3(2h)-one
  • ak115695
  • hy-13750
  • sbi-0050524.p003
  • 2-phenyl-1,2-benzisoselenazole-3(2h)-one
  • ab0020911
  • db-072873
  • 2-phenyl-1,2-benzoisoselenazole-3(2h)-one
  • e0946
  • ft-0759332
  • v1941
  • 2-phenyl-1,2-benzoisoselenazole-3-(2h)-one
  • 2-phenyl-benzo[d]isoselenazol-3-one(ebselen)
  • ab00053217_25
  • 940e343
  • q5332073
  • sr-01000003081-2
  • sr-01000003081-7
  • sr-01000003081-8
  • brd-k29359156-001-23-6
  • sr-01000003081-10
  • sr-01000003081-14
show 179 synonym(s)
DrugBank:   DB12610 ChEMBL:   CHEMBL51085
Canonical SMILES:   c1cccc(c12)[se]n(c2=O)-c3ccccc3
Standard InChI:   InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
Molecular Formula:   C13H9NOSe Mol. Weight:   274.98492 logP:   2.0477
HBD:   0 HBA:   2
#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) 6SPH 9JT
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SHOW
L,D-transpeptidase 2 O53223 (LDT2_MYCTO) Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh) 6RRM 9JT
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SHOW
Superoxide dismutase [Cu-Zn] P00441 (SODC_HUMAN) Homo sapiens (Human) 5O40 9JT
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SHOW