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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	Talipexole
Molecular formula	C10H15N3S
IUPAC name	6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine
Molecular weight	209.311
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	1.5
Synonyms	ACMC-20db7z C-10747 CS-2860 DTXSID8046321 NCGC00163160-02 Talipexol [Spanish] UNII-7AM2J46Z1Y 6-allyl-5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepin-2-amine BDBM86053 CC-34631 D0Y7XC GTPL5442 NSC_104870 Talipexole [INN] 2-{4-[2-(4-Chlorobenzamido-d4)ethyl]phenozy}-2-methylpropanoic Acid 6-prop-2-enyl-4,5,7,8-tetrahydrothiazolo[4,5-d]azepin-2-amine AC1L1K7N BPBio1_001257 CHEMBL279085 DSSTox_GSID_46321 LS-171790 SR-01000722008-2 Tox21_112020 6-(prop-2-en-1-yl)-4H,5H,6H,7H,8H-[1,3]thiazolo[4,5-d]azepin-2-amine AKOS030526065 CAS-101626-70-4 CTK4A0034 FCH1328384 NCGC00163160-03 ZINC6644 6-allyl-5,6,7,8-tetrahydro-4h-[1,3]thiazolo[4,5-d]azepin-2-amine BHT920 CHEBI:93327 Domin HY-A0040 SCHEMBL49817 Talipexolum 4H-Thiazolo[4,5-d]azepin-2-amine,5,6,7,8-tetrahydro-6-(2-propen-1-yl)- 7AM2J46Z1Y AC1Q4W5P BRD-K75615183-001-01-7 cid_5374 DSSTox_RID_81537 NCGC00163160-01 Talipexol Tox21_112020_1 6-Allyl-2-amino-5,6,7,8-tetrahydro-4H-thiazolo(4,5-d)azepine API0009175 CAS_101626-70-4 D08558 FT-0631016 NCGC00163160-04 Talipexole (INN) 101626-70-4 6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine Biomol-NT_000038 DSSTox_CID_26321 L001140 SR-01000722008 Talipexolum [Latin] 5,6,7,8-tetrahydro-6-(2-propenyl)-4H-thiazolo[4,5-d]azepin-2-amine [ Show all ]
Inchi Key	DHSSDEDRBUKTQY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
PubChem CID	5374
ChEMBL	CHEMBL279085
IUPHAR	N/A
BindingDB	86053
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID12388666	BindingDB

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