Ligand
Ligand Name:   1,5-IAENS
Ligand Type:   non-polymer
Ligand ID:   COVPDB485 PubChem:   91621
Synonym(s):  
  •   1,5-i-aedans
  • 36930-63-9
  • iaedans
  • 5-[2-(iodoacetamido)ethylamino]naphthalene-1-sulfonic acid
  • unii-6v7g304m5m
  • i-aed
  • n-(iodoacetylaminoethyl)-5-naphthylamine-1-sulfonic acid
  • 5-[2-[(2-iodoacetyl)amino]ethylamino]naphthalene-1-sulfonic acid
  • 6v7g304m5m
  • 1-naphthalenesulfonicacid, 5-[[2-[(2-iodoacetyl)amino]ethyl]amino]-
  • n-iodoacetyl-n'-(5-sulfo-1-naphthyl)ethylenediamine", "n-iodoacetyl-n'-(5-sulfonic-1-napthyl)ethylene-diamine
  • 5-(2-(2-iodoacetamido)ethylamino)naphthalene-1-sulfonic acid
  • 5-{[2-(iodoacetamido)ethyl]amino}naphthalene-1-sulfonic acid
  • einecs 253-277-7
  • nsc328384
  • nsc 328384
  • 5-(2-(2-iodoacetamido)ethylamino)-1-naphthalenesulphonic acid
  • schembl25745
  • sgcut00111
  • chebi:58984
  • dtxsid10190421
  • to_000065
  • zinc1574050
  • akos015894356
  • mcule-7970055536
  • nsc-328384
  • vz29973
  • db-049034
  • ft-0629293
  • st51006709
  • q908770
  • n-(iodoacetaminoethyl)-1-naphthylamine-5-sulfonate
  • 5-{[2-(2-iodoacetylamino)ethyl]amino}naphthalenesulfonic acid
  • 5-((((2-iodoacetyl)amino)ethyl)amino)naphthalene-1-sulfonic acid
  • 5-((2-[(iodoacetyl)amino]ethyl)amino)-1-naphthalenesulfonic acid #
  • 3-[(2,4-dihydro-2,4-dimethyl-3h-1,2,4-triazol-3-ylidene)hydrazono]-1-methyl-2-phenyl-3h-indoliumchloride
  • n-(iodoacetaminoethyl)-1-naphthylamine-5-sulfonate, n-(iodoacetyl-aminoethyl)-5-n'-naphthylamin-1-sulfonic acid (1,5-iaedans)
  • n-(iodoacetaminoethyl)-1-naphthylamine-5-sulfonic acid, suitable for fluorescence, >=95% (hplc)
show 37 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   OS(=O)(=O)c1cccc2c(NCCNC(=O)CI)cccc12
Standard InChI:   InChI=1S/C14H15IN2O4S/c15-9-14(18)17-8-7-16-12-5-1-4-11-10(12)3-2-6-13(11)22(19,20)21/h1-6,16H,7-9H2,(H,17,18)(H,19,20,21)
Molecular Formula:   C14H15IN2O4S Mol. Weight:   433.97974 logP:   2.0496
HBD:   3 HBA:   4
#Rotatable Bonds:   6 TPSA:   95.5

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Ribonuclease pancreatic P61823 (RNAS1_BOVIN) Bos taurus (Bovine) 1RAR AEN
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SHOW
Ribonuclease pancreatic P61823 (RNAS1_BOVIN) Bos taurus (Bovine) 1RAS AEN
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SHOW