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Ligand

NameCHEMBL421193
Molecular formulaC22H20ClNNa2O7
IUPAC namedisodium;(6S)-6-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-6,7,8,9-tetrahydro-5H-cyclohepta[f][1,3]benzodioxole-2,2-dicarboxylate
Molecular weight491.832
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogPNone
SynonymsFR-165914
Inchi KeyDNXPJMGBSBGERP-SZKOKKDDSA-L
Inchi IDInChI=1S/C22H22ClNO7.2Na/c23-15-5-1-4-13(7-15)17(25)11-24-16-6-2-3-12-9-18-19(10-14(12)8-16)31-22(30-18,20(26)27)21(28)29;;/h1,4-5,7,9-10,16-17,24-25H,2-3,6,8,11H2,(H,26,27)(H,28,29);;/q;2*+1/p-2/t16-,17-;;/m0../s1
PubChem CID11620152
ChEMBLCHEMBL421193
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
64758Beta-2 adrenergic receptorP54833ADRB2Canis lupus familiaris (Dog)415
64759Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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