Ligand
Ligand Name:   4-NITROPHENYL ISOTHIOCYANATE
Ligand Type:   non-polymer
Ligand ID:   COVPDB238 PubChem:   75044
Synonym(s):  
  •   2131-61-5
  • 1-isothiocyanato-4-nitrobenzene
  • 4-nitrophenylisothiocyanate
  • p-nitrophenyl isothiocyanate
  • benzene, 1-isothiocyanato-4-nitro-
  • isothiocyanic acid 4-nitrophenyl ester
  • 1-isothiocyanato-4-nitro-benzene
  • mfcd00007307
  • 4-nitrobenzenisothiocyanate
  • 4-nitrophenyl isothiocyanate, 98% 25gr
  • p-nitrophenylthiocyanat
  • pubchem13428
  • 4nitrophenyl isothiocyanate
  • acmc-209fj2
  • 4-nitro-phenylisothiocyanate
  • 4-nitrobenzyl-isothiocyanate
  • (4-nitrophenyl)isothiocyanate
  • 4-nitro-phenyl isothiocyanate
  • 4-nitro-phenyl-isothiocyanate
  • phenylisothiocyanate, 4-nitro
  • schembl206480
  • dtxsid9062198
  • schembl15630319
  • timtec-bb sbb002729
  • attercop-chm at114475
  • 1-isothiocyanato-4-nitrobenzene #
  • 4-nitrophenyl isothiocyanate, 98%
  • bcp20905
  • nsc84691
  • zinc4269455
  • einecs 218-359-9
  • anw-24396
  • nsc-84691
  • sbb002729
  • stk301532
  • akos000120523
  • as04377
  • cm13780
  • isothiocyanic acid, p-nitrophenyl ester
  • ls10042
  • mcule-2383157794
  • vz29590
  • as-59386
  • bp-12887
  • db-045542
  • ft-0618854
  • n0826
  • st45061210
  • y8237
  • a26607
  • s-8034
  • al-398/25017004
  • w-206616
  • f1915-0003
  • 1-isothiocyanato-4-nitrobenzene 4-nitrophenyl isothiocyanate p-nitrophenyl isothiocyanate 1-isothiocyanato-4-nitro-benzen
show 54 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   [O-][N+](=O)c1ccc(cc1)N=C=S
Standard InChI:   InChI=1S/C7H4N2O2S/c10-9(11)7-3-1-6(2-4-7)8-5-12/h1-4H
Molecular Formula:   C7H4N2O2S Mol. Weight:   179.99934 logP:   2.3291
HBD:   0 HBA:   4
#Rotatable Bonds:   2 TPSA:   55.5

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Dihydroorotate dehydrogenase (fumarate) Q4QEW7 (Q4QEW7_LEIMA) Leishmania major 4EF9 4NF
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