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Ligand

NameCHEMBL386016
Molecular formulaC27H31N5O5
IUPAC name6-[4-[2-[[(2S)-2-hydroxy-3-[(3-methyl-2-oxo-1H-benzimidazol-4-yl)oxy]propyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carboxamide
Molecular weight505.575
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP1.9
SynonymsBDBM50193803
(S)-6-(4-(2-(2-hydroxy-3-(3-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-4-yloxy)propylamino)-2-methylpropyl)phenoxy)nicotinamide
Inchi KeyBWFZVCAHTKYRFD-IBGZPJMESA-N
Inchi IDInChI=1S/C27H31N5O5/c1-27(2,13-17-7-10-20(11-8-17)37-23-12-9-18(14-29-23)25(28)34)30-15-19(33)16-36-22-6-4-5-21-24(22)32(3)26(35)31-21/h4-12,14,19,30,33H,13,15-16H2,1-3H3,(H2,28,34)(H,31,35)/t19-/m0/s1
PubChem CID44419332
ChEMBLCHEMBL386016
IUPHARN/A
BindingDB50193803
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
34404Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
34402Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
34401Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400
34403Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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