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Ligand

NameCHEMBL245873
Molecular formulaC22H23ClN2O3S
IUPAC name2-[3-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]thiophene-3-carboxylic acid
Molecular weight430.947
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP2.0
SynonymsN/A
Inchi KeyBHSXWAJCDNDMAX-VLIAUNLRSA-N
Inchi IDInChI=1S/C22H23ClN2O3S/c1-14(24-13-20(26)15-4-2-6-17(23)10-15)12-25-18-7-3-5-16(11-18)21-19(22(27)28)8-9-29-21/h2-11,14,20,24-26H,12-13H2,1H3,(H,27,28)/t14-,20+/m1/s1
PubChem CID23661589
ChEMBLCHEMBL245873
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
442600Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
24054Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
24055Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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