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Ligand

NameCHEMBL3586032
Molecular formulaC33H34N4O5
IUPAC name5-[(1S,5R)-8-acetyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2,3-dihydro-1-benzofuran-6-ylmethylamino)pyridine-3-carboxamide
Molecular weight566.658
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.2
SynonymsBDBM50094224
Inchi KeyUZJCBPUZLIMFRR-VJGNERBWSA-N
Inchi IDInChI=1S/C33H34N4O5/c1-20(38)37-25-8-9-26(37)14-23(13-25)24-15-28(33(39)36-18-27-19-41-29-4-2-3-5-30(29)42-27)32(35-17-24)34-16-21-6-7-22-10-11-40-31(22)12-21/h2-7,12-13,15,17,25-27H,8-11,14,16,18-19H2,1H3,(H,34,35)(H,36,39)/t25-,26+,27-/m0/s1
PubChem CID122180026
ChEMBLCHEMBL3586032
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 10
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5061335-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
506126Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
506135Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
506134D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
506131D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
506128Growth hormone secretagogue receptor type 1O08725GhsrRattus norvegicus (Rat)364
506130Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366
506132Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
506127Motilin receptorO43193MLNRHomo sapiens (Human)412
506129Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384

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