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Ligand

NameCHEMBL213956
Molecular formulaC34H44N6O3
IUPAC name(2S)-N-[(2R)-1-[(2S,4R)-2-[3-(diaminomethylideneamino)propyl]-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]piperidine-2-carboxamide
Molecular weight584.765
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP3.6
SynonymsBDBM50191576
(S)-N-((R)-1-((2S,4R)-2-(3-guanidinopropyl)-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl)piperidine-2-carboxamide
Inchi KeyAIBOPTDBFGOAQA-XFBWMNOSSA-N
Inchi IDInChI=1S/C34H44N6O3/c35-34(36)38-18-8-13-28-21-29(43-23-25-15-16-26-11-4-5-12-27(26)19-25)22-40(28)33(42)31(20-24-9-2-1-3-10-24)39-32(41)30-14-6-7-17-37-30/h1-5,9-12,15-16,19,28-31,37H,6-8,13-14,17-18,20-23H2,(H,39,41)(H4,35,36,38)/t28-,29+,30-,31+/m0/s1
PubChem CID11846669
ChEMBLCHEMBL213956
IUPHARN/A
BindingDB50191576
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6076Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
6078Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
6077Melanocyte-stimulating hormone receptorQ01726MC1RHomo sapiens (Human)317

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