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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Beta-2 adrenergic receptor
Species	Bos taurus (Bovine)
Gene	ADRB2
Synonym	Beta-2 adrenoceptor Beta-2 adrenoreceptor
Disease	N/A for non-human GPCRs
Length	418
Amino acid sequence	MGQPGNRSVFLLAPNASHAPDQNVTLERDEAWVVGMGILMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGACHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYLAITSPFKYQCLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRASHKEAINCYAKETCCDFFTNQPYAIASSIVSFYLPLVVMVFVYSRVFQVAKRQLQKIDKSEGRFHAQNVSQVEQDGRSGLGQRRTSKFYLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIKDNLIRKEIYILLNWLGYINSAFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGCSSNSNDRTDYTGEQSGYHLGEEKDSELLCEDPPGTENFVNQQGTVPSDSIDSQGRNCSTNDSLL
UniProt	Q28044
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3373
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	Propranolol, L-
Molecular formula	C16H21NO2
IUPAC name	(2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
Molecular weight	259.349
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.0
Synonyms	AB00514695-07 Bio2_000840 BSPBio_001122 HMS1792D21 KBio3_000740 NCGC00024813-03 Prestwick0_001081 SCHEMBL3956 1-propranolol AJ-09309 BRD-K13994703-001-02-0 CHEMBL452861 IDI1_002115 Levopropranolol NCGC00024813-06 Prestwick3_001075 UNII-74MLR03FLC (2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol 4199-09-1 74MLR03FLC BDBM50246936 BSPBio_001040 GTPL63 KBio2_005516 NCGC00024813-01 PDSP1_000768 S-(-)-propanolol [2-Hydroxy-3-(naphthalen-1-yloxy)-propyl]-isopropyl-ammonium((-)-propranolol) 1-((1-methylethyl)amino) 3-(1-naphthalenyloxy) 2-propanol AB00514695_08 BPBio1_001200 CCG-205103 HMS1990D21 KBioGR_000380 NCGC00024813-04 Prestwick1_001081 SPBio_003021 (-)-(S)-Propranolol 2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, (S)- AQHHHDLHHXJYJD-AWEZNQCLSA-N BRD-K13994703-003-04-2 CTK4I5506 KBio2_000380 Lopac0_001023 NCGC00024813-07 Prestwick3_001081 UNII-9Y8NXQ24VQ component AQHHHDLHHXJYJD-AWEZNQCLSA-N (S)-1-(Isopropylamino)-3-(naphthyloxy)propan-2-ol AB00514695 Bio2_000360 BSPBio_001090 HMS1362D21 KBio3_000739 NCGC00024813-02 PDSP2_000756 SBI-0050996.P003 1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol AC1L3M9V BPBio1_001236 HMS2089B07 KBioSS_000380 NCGC00024813-05 Prestwick2_001081 Tocris-0834 (-)-propranolol 2-Propanol,1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, (2S)- BCBcMAP01_000208 BRD-K13994703-003-10-9 EINECS 224-095-5 KBio2_002948 LS-122524 NCGC00024813-08 ZINC56556 (S)-propranolol [ Show all ]
Inchi Key	AQHHHDLHHXJYJD-AWEZNQCLSA-N
Inchi ID	InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m0/s1
PubChem CID	91536
ChEMBL	CHEMBL452861
IUPHAR	63
BindingDB	50246936
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
-Delta G	12.84 -	PMID2836587	ChEMBL

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