Ligand
Ligand Name:   Roxarsone
Ligand Type:   non-polymer
Ligand ID:   COVPDB1293 PubChem:   5104
Synonym(s):  
  •   121-19-7
  • 4-hydroxy-3-nitrophenylarsonic acid
  • 4-hydroxy-3-nitrobenzenearsonic acid
  • ristat
  • 3-nitro
  • ren-o-sal
  • aklomix-3
  • roxarson
  • 3-nitro-10
  • 3n4hpa
  • nitrophenolarsonic acid
  • roxarsonum
  • 3-nitro-20
  • 3-nitro-50
  • 3-nitro-80
  • (4-hydroxy-3-nitrophenyl)arsonic acid
  • 3-nitro-4-hydroxyphenylarsonic acid
  • ren o-sal
  • 3-nitro-4-hydroxybenzenearsonic acid
  • arsonic acid, (4-hydroxy-3-nitrophenyl)-
  • c6h6asno6
  • 2-nitro-1-hydroxybenzene-4-arsonic acid
  • nci-c56508
  • benzenearsonic acid, 4-hydroxy-3-nitro-
  • nih 1529
  • nsc-2101
  • nitro acid 100 per cent
  • 2-nitrophenol-4-arsonic acid
  • unii-h5gu9yql7l
  • a 19603
  • nsc 2101
  • roxarsone (usp/inn)
  • h5gu9yql7l
  • kyselina 4-hydroxy-3-nitrofenylarsonova
  • arsonic acid, as-(4-hydroxy-3-nitrophenyl)-
  • chebi:35817
  • nsc2101
  • ncgc00016372-01
  • cas-121-19-7
  • dsstox_cid_956
  • dsstox_rid_75884
  • dsstox_gsid_20956
  • roxarson [inn-spanish]
  • roxarsonum [inn-latin]
  • roxarsone [usan:inn:ban]
  • ccris 1661
  • hsdb 4296
  • nitrophenoloarsonic acid
  • 4-hydroxy-3-nitrobenzolarsonsaeure
  • sr-05000001714
  • einecs 204-453-7
  • brn 1976533
  • ai3-16421
  • roxarsone(usan)
  • roxarsone [usan:usp:inn:ban]
  • kyselina 4-hydroxy-3-nitrofenylarsonova [czech]
  • 4-hydroxy-3-nitrophenyl arsonic acid
  • (4-hydroxy-3-nitro-phenyl)arsonic acid
  • spectrum_000942
  • prestwick0_000970
  • prestwick1_000970
  • prestwick2_000970
  • prestwick3_000970
  • spectrum2_000479
  • spectrum3_000566
  • spectrum4_000498
  • spectrum5_001658
  • 4-hydroxy-3-nitro-benzenearsonic acid
  • acmc-209a9k
  • component of 3-nitro-10
  • component of 3-nitro-20
  • component of 3-nitro-50
  • component of 3-nitro-80
  • bspbio_000979
  • bspbio_001952
  • kbiogr_001015
  • kbioss_001422
  • 4-16-00-01188 (beilstein handbook reference)
  • mls002154078
  • divk1c_000500
  • schembl158026
  • spectrum1500530
  • spbio_000618
  • spbio_002900
  • wln: wnr bq e-as-qqo
  • 2-nitrophenolarsonic acid-(4)
  • bpbio1_001077
  • roxarsone, ban, inn, usan
  • chembl1321154
  • dtxsid9020956
  • hms501i22
  • kbio1_000500
  • kbio2_001422
  • kbio2_003990
  • kbio2_006558
  • kbio3_001452
  • xmvjitfpvvrmhc-uhfffaoysa-
  • component of polystat (salt/mix)
  • ninds_000500
  • hms1571a21
  • hms1920p10
  • hms2092g11
  • hms2098a21
  • hms2234i16
  • hms3374c10
  • pharmakon1600-01500530
  • hy-b0936
  • component of unistat-3 (salt/mix)
  • tox21_110402
  • tox21_201465
  • tox21_302842
  • anw-17574
  • ccg-39723
  • mfcd00007112
  • nsc757312
  • akos015960757
  • component of 3-nitro-10 (salt/mix)
  • component of 3-nitro-50 (salt/mix)
  • component of 3-nitro-80 (salt/mix)
  • tox21_110402_1
  • db11458
  • nsc-757312
  • (4-hydroxy-3-nitrobenzene)arsonic acid
  • (4-hydroxy-3-nitrophenyl)-arsonic acid
  • idi1_000500
  • (3-nitro-4-oxidanyl-phenyl)arsonic acid
  • ncgc00016372-02
  • ncgc00016372-03
  • ncgc00016372-04
  • ncgc00016372-07
  • ncgc00094778-01
  • ncgc00094778-02
  • ncgc00256417-01
  • ncgc00259016-01
  • s044
  • smr001233388
  • sbi-0051507.p003
  • as-(4-hydroxy-3-nitrophenyl)-arsonic acid
  • db-041607
  • ab00052087
  • ft-0616222
  • roxarsone, vetranal(tm), analytical standard
  • d05771
  • ab00052087_07
  • a804687
  • j-004458
  • q3049725
  • sr-05000001714-1
  • sr-05000001714-3
  • roxarsone, united states pharmacopeia (usp) reference standard
show 149 synonym(s)
DrugBank:   DB11458 ChEMBL:   CHEMBL1321154
Canonical SMILES:   OC1=CC=C(C=C1[N+]([O-])=O)[As](O)(O)=O
Standard InChI:   InChI=1S/C6H6AsNO6/c9-6-2-1-4(7(10,11)12)3-5(6)8(13)14/h1-3,9H,(H2,10,11,12)
Molecular Formula:   C6H6AsNO6 Mol. Weight:   262.9411 logP:   -1.1386
HBD:   3 HBA:   4
#Rotatable Bonds:   2 TPSA:   120.9

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Arsenic methyltransferase C0JV69 (C0JV69_9RHOD) Cyanidioschyzon sp. 5508 4RSR RXO
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Glyoxalase/bleomycin resistance protein/dioxygenase D1A230 (D1A230_THECD) Thermomonospora curvata (strain ATCC 19995 / DSM 43183 / JCM 3096 / KCTC 9072 / NBRC 15933 / NCIMB 10081 / Henssen B9) 5V0F RXO
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