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Ligand

NameCHEMBL1684585
Molecular formulaC23H26N4O2S
IUPAC name2-(2-amino-1,3-thiazol-4-yl)-N-[4-[[(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]phenyl]acetamide
Molecular weight422.547
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP2.7
SynonymsBDBM50338821
SCHEMBL11982260
2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydroxy(phenyl)methyl)pyrrolidin-2-yl)methyl)phenyl)acetamide
Inchi KeyBDYLGPUIUMBDQP-CZTZKLFOSA-N
Inchi IDInChI=1S/C23H26N4O2S/c24-23-27-19(14-30-23)13-21(28)26-17-8-6-15(7-9-17)12-18-10-11-20(25-18)22(29)16-4-2-1-3-5-16/h1-9,14,18,20,22,25,29H,10-13H2,(H2,24,27)(H,26,28)/t18-,20+,22+/m0/s1
PubChem CID44472590
ChEMBLCHEMBL1684585
IUPHARN/A
BindingDB50338821
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
21352Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
21350Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
21351Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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