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Target
Amine oxidase [flavin-containing] A/B
Ligand
BDBM50008984
Substrate
n/a
Meas. Tech.
ChEMBL_220590 (CHEMBL841869)
Ki
5462±n/a nM
Citation
 Dardonville, C; Jagerovic, N; Callado, LF; Meana, JJ Fentanyl derivatives bearing aliphatic alkaneguanidinium moieties: a new series of hybrid molecules with significant binding affinity for mu-opioid receptors and I2-imidazoline binding sites. Bioorg Med Chem Lett 14:491-3 (2003) [PubMed]  Article 
Target
Name:
Amine oxidase [flavin-containing] A/B
Synonyms:
Imidazoline I2-receptor | Monoamine oxidase
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of EBI is 220586
Components:
This complex has 2 components.
Component 1
Name:
Amine oxidase [flavin-containing] A
Synonyms:
AOFA_HUMAN | Amine oxidase (flavin-containing) A | MAO-A | MAOA | Monoamine oxidase | Monoamine oxidase type A | Monoamine oxidase type A (MAO A) | Monoamine oxidase type A (MAO A) | Monoamine oxidase type A (MAOA)
Type:
Protein
Mol. Mass.:
59689.53
Organism:
Homo sapiens (Human)
Description:
P21397
Residue:
527
Sequence:
MENQEKASIAGHMFDVVVIGGGISGLSAAKLLTEYGVSVLVLEARDRVGGRTYTIRNEHVDYVDVGGAYVGPTQNRILRLSKELGIETYKVNVSERLVQYVKGKTYPFRGAFPPVWNPIAYLDYNNLWRTIDNMGKEIPTDAPWEAQHADKWDKMTMKELIDKICWTKTARRFAYLFVNINVTSEPHEVSALWFLWYVKQCGGTTRIFSVTNGGQERKFVGGSGQVSERIMDLLGDQVKLNHPVTHVDQSSDNIIIETLNHEHYECKYVINAIPPTLTAKIHFRPELPAERNQLIQRLPMGAVIKCMMYYKEAFWKKKDYCGCMIIEDEDAPISITLDDTKPDGSLPAIMGFILARKADRLAKLHKEIRKKKICELYAKVLGSQEALHPVHYEEKNWCEEQYSGGCYTAYFPPGIMTQYGRVIRQPVGRIFFAGTETATKWSGYMEGAVEAGERAAREVLNGLGKVTEKDIWVQEPESKDVPAVEITHTFWERNLPSVSGLLKIIGFSTSVTALGFVLYKYKLLPRS
  
Component 2
Name:
Amine oxidase [flavin-containing] B
Synonyms:
AOFB_HUMAN | MAO-B | MAOB | Monoamine oxidase type B | Monoamine oxidase type B (MAO B) | Monoamine oxidase type B (MAO B) | Monoamine oxidase type B (MAOB)
Type:
Protein
Mol. Mass.:
58768.76
Organism:
Homo sapiens (Human)
Description:
P27338
Residue:
520
Sequence:
MSNKCDVVVVGGGISGMAAAKLLHDSGLNVVVLEARDRVGGRTYTLRNQKVKYVDLGGSYVGPTQNRILRLAKELGLETYKVNEVERLIHHVKGKSYPFRGPFPPVWNPITYLDHNNFWRTMDDMGREIPSDAPWKAPLAEEWDNMTMKELLDKLCWTESAKQLATLFVNLCVTAETHEVSALWFLWYVKQCGGTTRIISTTNGGQERKFVGGSGQVSERIMDLLGDRVKLERPVIYIDQTRENVLVETLNHEMYEAKYVISAIPPTLGMKIHFNPPLPMMRNQMITRVPLGSVIKCIVYYKEPFWRKKDYCGTMIIDGEEAPVAYTLDDTKPEGNYAAIMGFILAHKARKLARLTKEERLKKLCELYAKVLGSLEALEPVHYEEKNWCEEQYSGGCYTTYFPPGILTQYGRVLRQPVDRIYFAGTETATHWSGYMEGAVEAGERAAREILHAMGKIPEDEIWQSEPESVDVPAQPITTTFLERHLPSVPGLLRLIGLTTIFSATALGFLAHKRGLLVRV
  
Inhibitor
Name:
BDBM50008984
Synonyms:
4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-phthalazin-1-one | CHEMBL596 | Duragesic-100 | Duragesic-12 | Duragesic-25 | Duragesic-50 | Duragesic-75 | FENTANYL | FENTANYL CITRATE | FENTANYL-HCl | Fentanyl-100 | Fentanyl-12 | Fentanyl-25 | Fentanyl-50 | Fentanyl-75 | Fentora | Innovar | Ionsys | N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionamide | N-(1-Phenethyl-piperidin-4-yl)-N-phenyl-propionamide(Fentanyl) | N-(1-phenethylpiperidin-4-yl)-N-phenylpropionamide | US20230399418, Compound Fentanyl
Type:
Small organic molecule
Emp. Form.:
C22H28N2O
Mol. Mass.:
336.4705
SMILES:
CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: