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Ligand

NameCHEMBL3951018
Molecular formulaC21H25Cl2N5O3S
IUPAC name4-amino-3,5-dichloro-N-[4-(2-cyanopyrrol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
Molecular weight498.423
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.1
SynonymsBDBM50198920
SCHEMBL1036899
Inchi KeyZYSPBBJRIQHKDF-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25Cl2N5O3S/c1-14-4-8-28(9-5-14)21(29)19(6-10-27-7-2-3-15(27)13-24)26-32(30,31)16-11-17(22)20(25)18(23)12-16/h2-3,7,11-12,14,19,26H,4-6,8-10,25H2,1H3
PubChem CID58509213
ChEMBLCHEMBL3951018
IUPHARN/A
BindingDB50198920
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: 19
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5478525-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
5478535-hydroxytryptamine receptor 4O70528HTR4Cavia porcellus (Guinea pig)388
547858B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
547860C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
547851C-C chemokine receptor type 10P46092CCR10Homo sapiens (Human)362
547868C-C chemokine receptor type 10Q9JL21Ccr10Mus musculus (Mouse)362
547869C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
547863C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352
547867C-C chemokine receptor type 6P51684CCR6Homo sapiens (Human)374
547861C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
547862C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368
547855Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461
547864D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
547857D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
547865D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
547856Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
547854Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
547859Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390
547866Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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