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Ligand

NameCHEMBL550445
Molecular formulaC25H29N3O3S
IUPAC name1-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-3-(3-methoxyphenyl)thiourea
Molecular weight451.585
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP3.9
SynonymsBDBM50378075
CHEMBL1203996
Inchi KeyAQIABZRVTYPRIL-QFIPXVFZSA-N
Inchi IDInChI=1S/C25H29N3O3S/c1-30-24-9-5-6-21(16-24)28-25(32)27-20-12-10-19(11-13-20)14-15-26-17-22(29)18-31-23-7-3-2-4-8-23/h2-13,16,22,26,29H,14-15,17-18H2,1H3,(H2,27,28,32)/t22-/m0/s1
PubChem CID44517694
ChEMBLN/A
IUPHARN/A
BindingDB50378075
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
11772Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
459322Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
11771Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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