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Ligand

NameErgocryptine
Molecular formulaC32H41N5O5
IUPAC name(6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-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 weight575.71
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.7
SynonymsErgotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'alpha)- (9CI)
Prestwick0_000727
ST057581
Biomol-NT_000068
CHEBI:10276
[ Show all ]
Inchi KeyYDOTUXAWKBPQJW-NSLWYYNWSA-N
Inchi IDInChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24-,25+,26+,31-,32+/m1/s1
PubChem CID134551
ChEMBLCHEMBL1403281
IUPHAR271
BindingDB50390993
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 20
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
4075135-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
4075025-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
4075035-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
4075085-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
4075045-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
4075215-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
5553115-hydroxytryptamine receptor 6P31388Htr6Rattus norvegicus (Rat)436
457873Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
407507Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
407517Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
407515Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
407520Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
407514Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
407518Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408
407516Cholecystokinin receptor type AO08786CckarMus musculus (Mouse)436
407519D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
407510D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
407509D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
407511Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453
407506Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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