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Ligand

NameCHEMBL3889627
Molecular formulaC23H27N5O3S
IUPAC nameN-[4-(2-cyanopyrrol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
Molecular weight453.561
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.6
SynonymsSCHEMBL1034287
BDBM50198921
Inchi KeyBRJXJOWXAFLRTE-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27N5O3S/c1-17-8-13-28(14-9-17)23(29)21(10-15-27-12-3-4-18(27)16-24)26-32(30,31)22-6-2-5-20-19(22)7-11-25-20/h2-7,11-12,17,21,25-26H,8-10,13-15H2,1H3
PubChem CID44252324
ChEMBLCHEMBL3889627
IUPHARN/A
BindingDB50198921
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: 18
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5367885-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
536782B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
536791C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
536780C-C chemokine receptor type 10Q9JL21Ccr10Mus musculus (Mouse)362
536781C-C chemokine receptor type 10P46092CCR10Homo sapiens (Human)362
536789C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
536795C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360
536792C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352
536783C-C chemokine receptor type 6P51684CCR6Homo sapiens (Human)374
536790C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
536784C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368
536796D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
536785D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
536786D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
536794Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
536793Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
536797Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390
536787Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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