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Ligand

NameCHEMBL3422010
Molecular formulaC21H19N5OS2
IUPAC name[(8R)-8-methyl-3-(2-methyl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone
Molecular weight421.537
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.0
SynonymsSCHEMBL14844463
[(8R)-3-(2-Methylthiazole-4-yl)-8-methyl-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine]-7-yl 4-(2-thienyl)phenylmethanone
BDBM50081195
J3.528.443E
Inchi KeyBWTVMVHFJRFVFO-CYBMUJFWSA-N
Inchi IDInChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m1/s1
PubChem CID71533722
ChEMBLCHEMBL3422010
IUPHARN/A
BindingDB50081195
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: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
443047Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328
443048Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
443045KiSS-1 receptorQ969F8KISS1RHomo sapiens (Human)398
443042Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
443043Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
443046Neuropeptide FF receptor 1Q9GZQ6NPFFR1Homo sapiens (Human)430
443049Substance-K receptorP21452TACR2Homo sapiens (Human)398
443044Substance-P receptorP25103TACR1Homo sapiens (Human)407

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