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Ligand

NameSCHEMBL12586671
Molecular formulaC33H37N5O5
IUPAC nameN-[(2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular weight583.689
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.4
SynonymsBDBM50280055
7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline-9-carboxylic acid ((2R,5S,10bS)-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxo-octahydro-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-amide
Inchi KeyLUZRJRNZXALNLM-YCFDMHLDSA-N
Inchi IDInChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21?,23?,25?,26-,27?,32+,33-/m0/s1
PubChem CID44272242
ChEMBLN/A
IUPHARN/A
BindingDB50280055
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 17
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1971165-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1971135-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
1971205-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
1971175-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
1971185-hydroxytryptamine receptor 1DP28565Htr1dRattus norvegicus (Rat)374
5562615-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
1971195-hydroxytryptamine receptor 2BP30994Htr2bRattus norvegicus (Rat)479
1971235-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
1971155-hydroxytryptamine receptor 5BP35365Htr5bRattus norvegicus (Rat)370
1971145-hydroxytryptamine receptor 6P31388Htr6Rattus norvegicus (Rat)436
1971225-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
5562565-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
5562585-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448
556257Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
197121D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
556259D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
556260D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400

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