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GLASS

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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	AH 3474
Molecular formula	C13H20N2O3
IUPAC name	5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxybenzamide
Molecular weight	252.314
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	1.3
Synonyms	22560-59-4 BDBM50421727 LS-144141 Benzamide,5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-2-hydroxy- CHEMBL349845 5-(2-(tert-Butylamino)-1-hydroxyethyl)salicylamide Benzamide, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-2-hydroxy- Salicylamide, 5-(2-(tert-butylamino)-1-hydroxyethyl)- AC1L4PCG BRN 2126419 AKOS030580505 CTK4E9735 5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxybenzamide Benzamide, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-2-hydroxy- (9CI) AC1Q5DEH [ Show all ]
Inchi Key	XJSJWMNGCFMVJB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H20N2O3/c1-13(2,3)15-7-11(17)8-4-5-10(16)9(6-8)12(14)18/h4-6,11,15-17H,7H2,1-3H3,(H2,14,18)
PubChem CID	161394
ChEMBL	CHEMBL349845
IUPHAR	N/A
BindingDB	50421727
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	9.54 -	PMID2836587	ChEMBL
-Delta G	11.21 -	PMID2836587	ChEMBL

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