Ligand
Ligand Name:   N-(1-Pyrenyl)iodoacetamide
Ligand Type:   non-polymer
Ligand ID:   COVPDB91 PubChem:   122259
Synonym(s):  
  •   76936-87-3
  • 2-iodo-n-(pyren-1-yl)acetamide
  • n-(1-pyrene)iodoacetamide
  • 2-iodo-n-pyren-1-ylacetamide
  • npcam
  • 1-piaa
  • acetamide, 2-iodo-n-1-pyrenyl-
  • n-pyrenylcarboxyamidomethyl
  • c18h12ino
  • schembl1751717
  • 2-iodo-n-(1-pyrenyl)acetamide
  • dtxsid70227722
  • 2-iodanyl-n-pyren-1-yl-ethanamide
  • zinc2565894
  • 2000ac
  • mfcd00467798
  • akos016010315
  • ft-0629077
  • a840083
show 18 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   c1ccc(c2c13)ccc4c2c(cc3)c(cc4)NC(=O)CI
Standard InChI:   InChI=1S/C18H12INO/c19-10-16(21)20-15-9-7-13-5-4-11-2-1-3-12-6-8-14(15)18(13)17(11)12/h1-9H,10H2,(H,20,21)
Molecular Formula:   C18H12INO Mol. Weight:   384.99637 logP:   4.9575
HBD:   1 HBA:   1
#Rotatable Bonds:   2 TPSA:   29.1

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Camphor 5-monooxygenase P00183 (CPXA_PSEPU) Pseudomonas putida (Arthrobacter siderocapsulatus) 4KKY 1T4
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