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Ligand

NameCipargamin
Molecular formulaC19H14Cl2FN3O
IUPAC name(3R,3'S)-5,7'-dichloro-6'-fluoro-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one
Molecular weight390.239
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP3.9
Synonyms1193314-23-6
NITD609
NITD-609
NITD 609
UNII-Z7Q4FWA04P
[ Show all ]
Inchi KeyCKLPLPZSUQEDRT-WPCRTTGESA-N
Inchi IDInChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
PubChem CID44469321
ChEMBLCHEMBL1082723
IUPHARN/A
BindingDB50318666
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: 50
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GLASS IDNameUniProtGeneSpeciesLength
441875-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
442245-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
442055-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
442115-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
44208Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
443414Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
44198Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
44227Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
44229Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
44210Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
44231B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
44214B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
44196Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
44185Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
44194Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408
44188Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
44207Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
44225Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444
44192Corticotropin-releasing factor receptor 2Q13324CRHR2Homo sapiens (Human)411
44199D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446

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