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Ligand

NameCHEMBL3128187
Molecular formulaC23H27N5O2
IUPAC name(2S)-N-[4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]phenyl]-2-pyrazol-1-ylpropanamide
Molecular weight405.502
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP1.9
SynonymsN/A
Inchi KeyBCNXERGQHXCNKJ-FBEWHJACSA-N
Inchi IDInChI=1S/C23H27N5O2/c1-16(28-13-3-12-25-28)23(30)27-19-7-5-17(6-8-19)14-20-9-10-21(26-20)22(29)18-4-2-11-24-15-18/h2-8,11-13,15-16,20-22,26,29H,9-10,14H2,1H3,(H,27,30)/t16-,20-,21+,22+/m0/s1
PubChem CID76314766
ChEMBLCHEMBL3128187
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
20353Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
20354Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
20352Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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