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Ligand

NameCHEMBL285888
Molecular formulaC19H22Cl2N2O4
IUPAC name2-[2,3-dichloro-4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]anilino]acetic acid
Molecular weight413.295
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP1.2
SynonymsSCHEMBL8081757
[[4-[2-[[(1S,2R)-2-(4-Hydroxyphenyl)-2-hydroxy-1-methylethyl]amino]ethyl]-2,3-dichlorophenyl]amino]acetic acid
BDBM50409478
Inchi KeyNVTMXWRWVHYYIS-WLRWDXFRSA-N
Inchi IDInChI=1S/C19H22Cl2N2O4/c1-11(19(27)13-2-5-14(24)6-3-13)22-9-8-12-4-7-15(18(21)17(12)20)23-10-16(25)26/h2-7,11,19,22-24,27H,8-10H2,1H3,(H,25,26)/t11-,19-/m0/s1
PubChem CID10787873
ChEMBLCHEMBL285888
IUPHARN/A
BindingDB50409478
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
233352Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
233354Beta-2 adrenergic receptorP10608Adrb2Rattus norvegicus (Rat)418
233353Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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