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Ligand

NameNSC95090
Molecular formulaC33H35N5O5
IUPAC nameN-(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-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular weight581.673
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.0
Synonyms5'-Benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman
CHEMBL1982133
NSC-95090
AC1L1FIK
Ergoton-A [as succinate]
[ Show all ]
Inchi KeyXCGSFFUVFURLIX-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H35N5O5/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/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)
PubChem CID3251
ChEMBLN/A
IUPHARN/A
BindingDB86529
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 31
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
3882375-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
3882285-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
3882435-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
3882255-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
3882225-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366
3882355-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
3882265-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
3882215-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
3882395-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
3882315-hydroxytryptamine receptor 7P50407HTR7Cavia porcellus (Guinea pig)446
3882405-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
388244Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
388238Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
388230Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
388234Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
388219Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
388242Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
388218Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
388229D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
388247D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477

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