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Ligand

NameCHEMBL3310802
Molecular formulaC27H39N5O7
IUPAC name(E)-but-2-enedioic acid;ethyl 4-[[1-(dimethylcarbamoyl)spiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-yl]methyl]piperidine-1-carboxylate
Molecular weight545.637
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogPNone
SynonymsN/A
Inchi KeyPLIHWCCORFZAAL-WLHGVMLRSA-N
Inchi IDInChI=1S/C23H35N5O3.C4H4O4/c1-4-31-22(30)27-12-7-18(8-13-27)16-26-14-9-23(10-15-26)17-28(21(29)25(2)3)20-19(23)6-5-11-24-20;5-3(6)1-2-4(7)8/h5-6,11,18H,4,7-10,12-17H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
PubChem CID118706800
ChEMBLCHEMBL3310802
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 34
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
4520765-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
4520665-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
452086Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
452082Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
452085Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
452083Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
452087Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
452058Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
452089Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
452080Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
452075Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
452077Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
452073Cysteinyl leukotriene receptor 1Q9Y271CYSLTR1Homo sapiens (Human)337
452074D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
452081D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
452068D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
452064Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
452069Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
452090Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427
452071Gamma-aminobutyric acid type B receptor subunit 1Q9UBS5GABBR1Homo sapiens (Human)961

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