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Ligand

NameCHEMBL3128199
Molecular formulaC25H27FN4O2S
IUPAC name(4R)-2-amino-N-[4-[[(2S,5R)-5-[(R)-(3-fluorophenyl)-hydroxymethyl]pyrrolidin-2-yl]methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
Molecular weight466.575
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP3.3
SynonymsN/A
Inchi KeyATLWECXBGAOLBY-DZCCDHAISA-N
Inchi IDInChI=1S/C25H27FN4O2S/c26-16-3-1-2-15(13-16)23(31)20-10-8-18(28-20)12-14-4-6-17(7-5-14)29-24(32)19-9-11-21-22(19)30-25(27)33-21/h1-7,13,18-20,23,28,31H,8-12H2,(H2,27,30)(H,29,32)/t18-,19+,20+,23+/m0/s1
PubChem CID76332894
ChEMBLCHEMBL3128199
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
14076Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
14077Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
14075Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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