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GPCR

Name	Beta-2 adrenergic receptor
Species	Cavia porcellus (Guinea pig)
Gene	Adrb2
Synonym	Beta-2 adrenoceptor Beta-2 adrenoreceptor
Disease	N/A for non-human GPCRs
Length	418
Amino acid sequence	MGHLGNGSDFLLAPNASHAPDHNVTRERDEAWVVGMAIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGASHILMNMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVVILMVWVVSGLTSFLPIQMHWYRATHKDAINCYAEETCCDFFTNQAYAIASSIVSFYLPLVVMVFVYSRVFQVAKKQLQKIDRSEGRFHTQNLSQVEQDGRSGHGLRRSSKFYLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIPKEVYILLNWVGYVNSAFNPLIYCRSPDFRIAFQELLCLRRSALKAYGNDCSSNSNGKTDYTGEPNVCHQGQEKERELLCEDPPGTEDLVSCPGTVPSDSIDSQGRNYSTNDSLL
UniProt	Q8K4Z4
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	CHEMBL5414
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	propranolol
Molecular formula	C16H21NO2
IUPAC name	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	Propanalol 1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol DL-Propranolol hydrochloride Propranolol (INN) 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)- etalong Propranololo [DCIT] 3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-ol HMS3428G03 Reducor line AB00053537_12 INDERIDE-80/25 SPBio_003093 AN-18866 KBio3_001766 ST024757 AY 20694 KS-00002WT3 beta-Propranolol NCGC00015798-04 Bio1_001345 NSC91523 (+-)-Propranolol Caridolol PDSP2_000755 1(-alpha-naphthoxy)-3-(iso-propylamino)-2-propanol Corpendol D08443 Propanolol [INN-Spanish] 1-(naphthalen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol DTXSID6023525 Propranolol [INN:BAN] 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, (+-)- (9CI) FE-0204 Proprasylyt 525P666 Inderal SCHEMBL12264958 AC1Q1QBV KB-123971 Spectrum3_000883 Anapriline KBioGR_001347 T7896 b-Propranolol LS-122410 Betachron NCGC00015798-09 BRD-A10070317-003-17-6 Obzidan (1)-1-(Isopropylamino)-3-(naphthyloxy)propan-2-ol CCRIS 3082 Pranolol 1-(1-Naphthyloxy)-2-hydroxy-3-(isopropylamino)propane DivK1c_000023 Propranalol 1-[(1-methylethyl)amino]-3-(naphthalen-1-yloxy)propan-2-ol EINECS 235-867-6 PROPRANOLOL,(-) 2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)- hemangiol racemic-Propranolol AB00053537-10 Inderex SPBio_001361 AKOS016050338 KBio2_005083 Spectrum4_001222 Avlocardyl KBioSS_002523 Bedranol Migrastat Bio1_000367 NINDS_000023 C07407 PDSP1_001607 CHEMBL27 Prestwick2_000952 1-(Isopropylamino)-3-(1-naphthoxy)-propan-2-ol Propanix 1-(Isopropylamino)-3-(naphthalen-1-yloxy)propan-2-ol Dociton Propranolol (TN) 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)- (9CI) Euprovasin Propranololum 3-[(methylethyl)amino]-1-naphthyloxypropan-2-ol ICI 45520 (Salt/Mix) Sawatal AB0108847 Inderol Spectrum2_001301 AN-45556 KBio3_001902 STK735510 AY 64043 L000679 Beta-Tablinen NCGC00015798-07 NCGC00015798-05 BPBio1_001040 Obsidan (+/-)-Propranolol-D7 (ring-D7) solution, 100 mug/mL in methanol with 5% 1 M HCl, ampule of 1 mL, certified reference material CBDivE_006180 PDSP2_001591 1-((1-Methylethyl)amino)-3-(1-naphthalenyloxy)-2-propanol CTK8I6896 PROPANOLOL(-) 1-Isopropylamino-3-(1-naphthyloxy)-2-propanol Efektolol PROPRANOLOL, d 2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)- FT-0700657 R,S-Propranolol Hydrochloride Inderal (Salt/Mix) SCHEMBL3955 AC1Q1QC0 KBio1_000023 Spectrum3_001071 AQHHHDLHHXJYJD-UHFFFAOYSA-N KBioGR_001684 W-109550 BBL023437 LS-184129 Betadren NCGC00024690-02 BSPBio_000944 Oprea1_304193 (A+/-)-Propranolol hydrochloride CHEBI:8499 Prestwick0_000952 1-(alpha-naphthoxy)-3-(iso-propylamino)-2-propanol 1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol dl-propranolol 13013-17-7 EN300-40731 propranololo HMS2090L21 Reducor AB00053537_11 INDERIDE-40/25 SPBio_001658 ALBB-023324 KBio2_007651 Spectrum5_000751 Avlocardyl (Salt/Mix) Kemi S Berkolol MolPort-001-794-623 Bio1_000856 NSC 91523 (Salt/Mix) C16H21NO2 PDSP1_001608 .beta.-Propranolol cMAP_000071 Prestwick3_000952 Propanolol 1-(isopropylamino)-3-naphthalen-1-yloxy-propan-2-ol Dociton (Salt/Mix) Propranolol Hcl Intensol 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, (+-)- F0001-3681 Propranololum [INN-Latin] 525-66-6 IDI1_000023 SBI-0050871.P003 AC1L1JA4 Intermigran Spectrum2_001699 Anaprilin KBio3_002993 Sumial AY-20694 Lopac0_000896 Beta-Timelets NCGC00015798-08 NCGC00015798-06 BRD-A10070317-003-06-9 Obsidan (Salt/Mix) (.+/-.)-Propranolol CCG-103643 PDSP2_001592 1-((1-Methylethyl)amino)-3-(1-naphthyloxy)-2-propanol D,L-Propranolol DB00571 Propanolol,(+/-) 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol EINECS 208-378-0 PROPRANOLOL,(+) 2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)-, (+-)- GTPL564 Racemic propranolol AB00053537 Inderal hydrochloride Servanolol AKOS000588816 KBio2_002515 Spectrum4_000974 ARONIS27011 KBioGR_002515 [2-hydroxy-3-(naphthalen-1-yloxy)propyl](propan-2-yl)amine BDBM25761 MCULE-7804628650 Betalong NCGC00024690-03 BSPBio_002682 PDSP1_000767 (S)-(-)-PROPRANOLOL Prestwick1_000952 1-(alpha-naphthoxy)-3-(isopropylamino)-2-propanol [ Show all ]
Inchi Key	AQHHHDLHHXJYJD-UHFFFAOYSA-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
PubChem CID	4946
ChEMBL	CHEMBL27
IUPHAR	564
BindingDB	25761
DrugBank	DB00571
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Affinity constant	0.00056 uM	PMID6138434	ChEMBL
EC50	10229.0 ug	PMID6120233	ChEMBL
FC	1.0 -	PMID34040	ChEMBL
IC50	28.84 nM	PMID8230093	BindingDB,ChEMBL
Intrinsic activity	0.0 -	PMID31474	ChEMBL
Kd	0.977 nM	PMID2872332	BindingDB
Kd	0.9772 nM	PMID2872332	ChEMBL
Kd	1.259 nM	PMID6130154	ChEMBL
Kd	1.26 nM	PMID6130154	BindingDB
Kd	1.38 nM	PMID31474	ChEMBL
Kd	3.02 nM	PMID6134834	BindingDB,ChEMBL
Kd	3.388 nM	PMID2903245, PMID6104730, PMID2861288, PMID6148422	ChEMBL
Kd	3.39 nM	PMID2903245, PMID6104730, PMID2861288, PMID6148422	BindingDB
Kd	14.79 nM	PMID34040	ChEMBL
Kd	43.65 nM	PMID6120237	BindingDB,ChEMBL
Kd	240.88 nM	PMID22756	ChEMBL
Ki	0.79 nM	PMID7915318	BindingDB
Ki	0.83 nM	PMID7915318	BindingDB
Ratio	4.67 -	PMID6120233	ChEMBL

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