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GPCR

Name	Beta-2 adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRB2
Synonym	beta-2 adrenergic receptor Gpcr7 beta2-adrenoceptor Adrb-2 ADRB2R ADRBR adrenergic receptor adrenoceptor beta 2, surface beta-2 adrenoreceptor Beta-2 adrenoceptor B2AR beta 2-AR [ Show all ]
Disease	Premature labour Premature ejaculation Obesity Neurogenic bladder dysfunction Hypertension Ocular hypertension Chronic obstructive pulmonary disease; Asthma Chronic obstructive pulmonary disease Chronic breathing disorders Cachexia Bronchodilator Bradycardia; Heart block Skin infections Unspecified Acute asthma Aging skin; Exacerbations of acute asthma Asthma; Chronic obstructive pulmonary disease Asthma [ Show all ]
Length	413
Amino acid sequence	MGQPGNGSAFLLAPNGSHAPDHDVTQERDEVWVVGMGIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGAAHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQEAINCYANETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLQKIDKSEGRFHVQNLSQVEQDGRTGHGLRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIRKEVYILLNWIGYVNSGFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGYSSNGNTGEQSGYHVEQEKENKLLCEDLPGTEDFVGHQGTVPSDNIDSQGRNCSTNDSLL
UniProt	P07550
Protein Data Bank	3nya, 3ny9, 3ny8, 3d4s, 2rh1, 3pds, 4gbr, 4lde, 6mxt, 6csy, 5x7d, 5jqh, 5d6l, 5d5b, 5d5a, 4ldo, 4ldl, 4qkx
GPCR-HGmod model	P07550
3D structure model	This structure is from PDB ID 3nya.
BioLiP	BL0257082, BL0113951, BL0113950, BL0257084, BL0257085, BL0283869, BL0333729, BL0333730, BL0333731,BL0333732,BL0333733, BL0333734, BL0333735, BL0333736,BL0333737,BL0333738, BL0113952,BL0113953,BL0113954, BL0147310, BL0257081, BL0257080, BL0232997, BL0192129, BL0257083, BL0185746,BL0185747, BL0185745, BL0185743,BL0185744, BL0185742, BL0185740,BL0185741, BL0147311,BL0147312, BL0351701,BL0351703, BL0351702,BL0351704, BL0192128, BL0433200, BL0433199, BL0430930, BL0430929, BL0388810, BL0388809, BL0354449, BL0185748, BL0354450, BL0354451,BL0354452,BL0354453, BL0388807,BL0388808
Therapeutic Target Database	T24555, T52522
ChEMBL	CHEMBL210
IUPHAR	29
DrugBank	BE0000694

Ligand

Name	DEXPROPRANOLOL
Molecular formula	C16H21NO2
IUPAC name	(2R)-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	PDSP2_000763 R (+)-Propanolol AY-20694 SMR000875288 CAS-5051-22-9 UNII-PG6KY07UD7 D04JEE Dexpropranololum [INN-Latin] etalong Innopran XL (TN) (2R)-1-(naphthalen-1-yloxy)-3-[(propan-2-yl)amino]propan-2-ol NCGC00015798-01 (S)-(-)-PROPRANOLOL NCGC00016429-05 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, (R)- Prestwick0_001075 AJ-08417 R-(+)-Propranolol BIDD:GT0130 Tocris-0624 Despropranolo DSSTox_CID_25304 Inderal (TN) (+)-1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol Lopac-P-0884 (2R)-3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-ol NCGC00015798-11 1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol NCGC00024814-01 2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, (2R)- 3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-ol Propranolol (INN) AQHHHDLHHXJYJD-CQSZACIVSA-N SCHEMBL25255 CAS-13071-11-9 Tox21_110435_1 d-(+)-Propranolol Dexpropranolol [INN:BAN] DTXSID3045304 INDERIDE-40/25 (2R)-1-(1-naphthalenyloxy)-3-(propan-2-ylamino)-2-propanol;hydrochloride MLS001333595 (R)-1-(isopropylamino)-3-(naphthalen-1-yloxy)propan-2-ol NCGC00016429-03 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-(9CI) PDSP1_000775 PDSP2_001073 AB00514691 R(+)-propranolol BDBM60973 SPBio_002995 CAS-839971 ZINC20240 DB03322 Dextropropranolol FT-0650563 Intermigran (2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol NCGC00015798-02 1-(1-Naphthyloxy)-2-hydroxy-3-(isopropylamino)propane NCGC00016429-06 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, (R)- (9CI) 2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, (R)- Prestwick1_001075 AKOS025212355 Reducorline BRD-K92830582-003-04-8 Tocris-0835 CHEMBL275742 Despropranolo [DCIT] DSSTox_GSID_45304 Inderal LA (TN) (+)-1-Isopropylamino-3-(1-naphthyloxy)-2-propanol Lopac-P-8688 (R)-(+)-Propanolol hydrochloride NCGC00016429-01 1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol, (R)- NCGC00024814-02 5051-22-9 Propranolol (TN) Avlocardyl (TN) Servanolol CAS-318-98-9 UNII-9Y8NXQ24VQ component AQHHHDLHHXJYJD-CQSZACIVSA-N D-Propranolol Dexpropranololum EINECS 225-749-2 INDERIDE-80/25 (2R)-1-(isopropylamino)-3-(1-naphthoxy)propan-2-ol;hydrochloride MolPort-002-051-372 (R)-Propranolol NCGC00016429-04 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, (+-)-(9CI) PDSP1_001089 PG6KY07UD7 AC1L2HPB R,S-Propranolol Hydrochloride Betachron Sumial (TN) CHEBI:8736 Deralin (TN) Dociton (TN) GTPL7596 (+)-(r)-propranolol Kemi S (2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride NCGC00015798-03 1-(Isopropylamino)-3-(1-naphthoxy)-propan-2-ol NCGC00024690-01 2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)-, (+)- 2R-Propranolol Prestwick2_001075 Anaprilinum (TN) SC-95481 C11193 Tox21_110435 cid_66366 DSSTox_RID_80790 Inderalici (TN) (+)-Propranolol LS-122411 (R)-(+)-propranolol NCGC00016429-02 1-[(1-methylethyl)amino]-3-(naphthalen-1-yloxy)propan-2-ol Obzidan [ Show all ]
Inchi Key	AQHHHDLHHXJYJD-CQSZACIVSA-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-/m1/s1
PubChem CID	21138
ChEMBL	CHEMBL275742
IUPHAR	N/A
BindingDB	60973
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	9.12 -	PMID2836587	ChEMBL
IC50	76.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	52.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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