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Ligand

NameRo-85
Molecular formulaC22H27N5O2S
IUPAC nameN-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-1-methyl-3-phenylthieno[2,3-c]pyrazole-5-carboxamide
Molecular weight425.551
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.6
SynonymsBDBM50415550
CHEMBL599760
Inchi KeyWLMBSKSEPQCRJV-OAHLLOKOSA-N
Inchi IDInChI=1S/C22H27N5O2S/c1-15(14-26-9-11-27(12-10-26)16(2)28)23-21(29)19-13-18-20(17-7-5-4-6-8-17)24-25(3)22(18)30-19/h4-8,13,15H,9-12,14H2,1-3H3,(H,23,29)/t15-/m1/s1
PubChem CID46175179
ChEMBLCHEMBL599760
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 55
Page:  / 3 

GLASS IDNameUniProtGeneSpeciesLength
3763175-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
3763385-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
3763005-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
3762985-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
3763075-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
3763135-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
3762935-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
3763165-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
376335Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
456642Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
376341Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
376311B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
376310Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
376295Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
376332C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
376339C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
376331Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461
376301Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
376324Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
376314D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446

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