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Ligand

NameCHEMBL67998
Molecular formulaC33H38N4O5S
IUPAC name1-[4-[[6-[(6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]naphthalen-2-yl]sulfamoyl]phenyl]-3-hexylurea
Molecular weight602.75
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP5.7
SynonymsBDBM50093041
N-[6-(6,7-Dihydroxy-1,2,3,4-tetrahydro-isoquinolin-1-ylmethyl)-naphthalen-2-yl]-4-(3-hexyl-ureido)-benzenesulfonamide
N-[6-(6,7-Dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-ylmethyl)-2-naphthyl]-4-(3-hexylureido)benzenesulfonamide
Inchi KeyASCKRJRRWMTXJM-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H38N4O5S/c1-2-3-4-5-15-35-33(40)36-26-10-12-28(13-11-26)43(41,42)37-27-9-8-23-17-22(6-7-24(23)19-27)18-30-29-21-32(39)31(38)20-25(29)14-16-34-30/h6-13,17,19-21,30,34,37-39H,2-5,14-16,18H2,1H3,(H2,35,36,40)
PubChem CID44312949
ChEMBLCHEMBL67998
IUPHARN/A
BindingDB50093041
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12998Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
13000Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
12999Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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