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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	norepinephrine
Molecular formula	C8H11NO3
IUPAC name	4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
Molecular weight	169.18
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	-1.2
Synonyms	AKOS015854572 Norepinephrine [INN:JAN] (-)-Arterenol free base Benzyl alcohol, .alpha.-(aminomethyl)-3,4-dihydroxy-, (+)- Pharmakon1600-01500436 (R)-4-(2-Amino-1-hydroxyethyl)-1,2-benzenediol CAS-51-41-2 SMR000058585 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (R)- D-(-)-Noradrenaline STK503776 21779-EP2272847A1 DB00368 X4W3ENH1CV 21779-EP2311828A1 Levonoradrenaline EINECS 200-096-6 4786-EP2270011A1 NCGC00159406-04 HMS2091J08 4786-EP2305644A1 NCGC00255328-01 KBio2_004057 4786-EP2314571A2 Noradrenalina L-alpha-(aminomethyl)-3,4-dihydroxybenzyl alcohol AB00052424-06 Noreinefrina [INN-Spanish] AN-24392 Norepirenamine (-)-NORADRENALINE/ 1,?2-?Benzenediol, 4-?[(1R)?-?2-?amino-?1-?hydroxyethyl]?- BRN 4231961 SBI-0050082.P003 (R)-Noradrenaline CHEBI:18357 Spectrum2_001064 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (R)-(9CI) D00076 to_000024 21779-EP2287166A2 DSSTox_CID_3378 21779-EP2377510A1 LS-42676 FT-0658803 4786-EP2287163A1 NCGC00159406-07 HY-13715 4786-EP2305678A1 Nor adrenalin (TN) KBioGR_000635 Noradrenaline (JP15) L-Norepinephrine AC1L96ZT (+)-Noradrenaline Norepinephrine Noradrenalin (-)-alpha-(Aminomethyl)protocatechuyl alcohol Arterenol PDSP1_001111 (R)-( C)-Norepinephrine C-4015 SFLSHLFXELFNJZ-QMMMGPOBSA-N 1,2-Benzenediol, 4-((1R)-2-amino-1-hydroxyethyl)- CS-0007744 Spectrum5_001068 138-65-8 D53D5E3A-2360-4CA9-8031-6C2CD4062FD5 UNII-X4W3ENH1CV 21779-EP2298742A1 Levoarterenol DTXSID5023378 4-[(1R)-2-Amino-1-hydroxyethyl]-1,2-benzenediol MLS006010883 HMS1920B08 4786-EP2292620A2 NCGC00159406-10 KBio1_000230 4786-EP2308875A1 Noradrenalin l-2-Amino-1-(3,4-dihydroxyphenyl)ethanol 51-41-2 Norartrinal AJ-09755 Aktamin norepinephrinum (-)-NORADRENALINE Benzyl alcohol, alpha-(aminomethyl)-3,4-dihydroxy-, (-)- PubChem6074 (R)-4-(2-Amino-1-hydroxyethyl)benzene-1,2-diol CC-33071 SPBio_001048 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (R)- (9CI) d-Arterenol Sympathin E 21779-EP2284170A1 DermX xi-Norepinephrine 21779-EP2311835A1 Levonorepinephrine FCH920095 4786-EP2280010A2 NCGC00159406-05 HMS500L12 4786-EP2305648A1 NINDS_000230 KBio2_006625 4786-EP2316836A1 Noradrenalina [Italian] L-arterenol AB00052424_07 norepinefrina Norepinephrine (INN) (+)-Norepinephrine ANW-74377 NSC-757246 (-)-Norepinephrine BSPBio_002079 SC-04955 (R)-Norepinephrine Spectrum3_000520 1,2-Benzenediol, 4-[(1R)-2-amino-1-hydroxyethyl]- D07MOX TR-005105 21779-EP2292620A2 DSSTox_GSID_23378 4-(2-Amino-1-hydroxyethyl)-1,2-benzenediol LT03330026 FT-0679201 4786-EP2287165A2 NCGC00159406-08 I01-15661 4786-EP2308864A1 Nor-adrenaline KBioSS_001489 Noradrenaline (JP17) Levarterenol Adrenaline Impurity Norepinephrine [INN:BAN:JAN] (-)-Arterenol BDBM50029051 PDSP2_001095 (R)-(-)-Norepinephrine C00547 SGCUT00123 1,2-Benzenediol, 4-((R)-2-amino-1-hydroxyethyl)- CTK4C1344 Spectrum_001009 21779-EP2269990A1 W-105896 21779-EP2305669A1 Levonor Ecteinascidins 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol NCGC00159406-03 HMS2089E18 4786-EP2298776A1 NCGC00159406-11 KBio2_001489 4786-EP2311831A1 Noradrenalin, l- L-3,4-dihydroxyphenylethanolamine 66197-73-7 Noreinefrina AKOS006345192 ALBB-006229 Norepinephrinum [INN-Latin] (-)-NORADRENALINE/ 1,?2-?Benzenediol, 4-?[(1R)?-?2 bmse000404 R-norepinephrine (R)-4-(2-Amino-1-hydroxyethyl)catechol CCG-40104 SPECTRUM1500436 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (R)-(-)- d-Norepinephrine Tox21_301944 21779-EP2287165A2 DivK1c_000230 ZINC57624 21779-EP2314571A2 Levophed FT-0603221 4786-EP2284171A1 NCGC00159406-06 HSDB 7772 4786-EP2305677A1 Nor adrenalin KBio3_001579 4899-05-2 noradrenaline L-Noradrenaline AB00052424_08 NOREPINEPHIRINE Norepinephrine l-Tartrate (1:1) (-)-(R)-Norepinephrine API0003193 NSC757246 (-)-Norepinephrine, >=98%, crystalline C-05156 SCHEMBL2609 025N592 CHEMBL1437 Spectrum4_000078 1,2-Benzenediol,4-(2-amino-1-hydroxyethyl)- D0R2UN UNII-K294OAI79V component SFLSHLFXELFNJZ-QMMMGPOBSA-N 21779-EP2298731A1 Levarterenolo [DCIT] DSSTox_RID_77004 4-[(1R)-2-amino-1-hydroxy-ethyl]benzene-1,2-diol MFCD00025592 GTPL505 4786-EP2287166A2 NCGC00159406-09 IDI1_000230 4786-EP2308873A1 Nor-Epirenan l-1-(3,4-Dihydroxyphenyl)-2-aminoethanol 51-40-1 (l-tartrate (1:1)) Noradrenalinum Levarterenolo Adrenor [ Show all ]
Inchi Key	SFLSHLFXELFNJZ-QMMMGPOBSA-N
Inchi ID	InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
PubChem CID	439260
ChEMBL	CHEMBL1437
IUPHAR	505
BindingDB	50029051
DrugBank	DB00368
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
-Delta G	6.0 -	PMID2836587	ChEMBL
-Delta G	8.64 -	PMID2836587	ChEMBL
Kd	3980.0 nM	PMID19168263	BindingDB,ChEMBL
Kd	3981.07 nM	PMID23954364	ChEMBL
Ki	3300.0 nM	PMID27132867	BindingDB,ChEMBL
Ki	15848.9 - 25118.9 nM	PMID2849109, PMID14730417	IUPHAR
Ki	96700.0 nM	PMID19857969	BindingDB,ChEMBL

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