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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	imipramine
Molecular formula	C19H24N2
IUPAC name	3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine
Molecular weight	280.415
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	4.8
Synonyms	N-(gamma.-Dimethylaminopropyl)iminodibenzyl NCGC00015563-08 NINDS_000559 Pramine Psychoforin (Salt/Mix) Spectrum2_000990 Surplix (TN) Tofranil(TN) W0042 Melipramin CAS-50-49-7 Clomipramine HCl EP Impurity B 10,11-Dihydro-5-(3-(dimethylamino)propyl)-5H-dibenz[b,f]azepine Depsonil (TN) 3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine;3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine Dyna-zina 5,e)azepine G-22355 Imidobenzyle 5H-Dibenz(b,f)azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl- (9CI) Imipramine [INN:BAN] AB00053486_16 Imizinum Antideprin Janimine BPBio1_000313 KBio3_001392 MolPort-001-783-692 NCGC00015563-03 NCGC00015563-11 NSC 169866 Prestwick1_000072 SCHEMBL34282 Spectrum5_000864 Tofranil (free base) Tofraniln A L000739 Censtim 2,2'-(3-Dimethylaminopropylimino)bibenzyl Dpid 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine EINECS 200-042-1 5-(3-(Dimethylamino)propyl)-10,f)azepine HMS2089G08 5H-Dibenz(b,5-[3-(dimethylamino)propyl]-10,11-dihydro-mixed with ethyl alcohol Imipramina 5H-Dibenz[b, 5-[3-(dimethylamino)propyl]-10,11-dihydro- Imiprin ACM50497 InChI=1/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H AX8134492 KB-232392 BRN 0256892 N-(3-Dimethylaminopropyl)-o-iminodibenzyl NCGC00015563-06 NCGC00024253-04 OGG85SX4E4 Promiben SPBio_001059 Surplix Tofranil (TN) UNII-OGG85SX4E4 LS-60467 1-(3-Dimethylaminopropyl)-4,3,6,7-dibenzazepine Deprimin (TN) 3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethyl-1-propanamine # DSSTox_RID_80080 5,6-Dihydro-N-(3-(dimethylamino)propyl)-11H-dibenz(b,e)azepine Eupramin (TN) 5-[3-(dimethylamino)propyl]-10,11-dihydro-5H-dibenz[b,f]azepine Imavate 5H-Dibenz(b,f)azepine,5-[3-(dimethylamino)propyl]-10,11-dihydro-mixed with ethyl alcohol AB00053486 Imizine AKOS016010320 Irmin Berkomine KBio2_003963 C07049 NCGC00015563-01 NCGC00015563-09 Norchlorimipramine Prazepine PubChem21397 Spectrum3_000466 Timolet Tofranil, base WLN: T C676 BN&T&J B3N1&1 Melipramin (TN) CCG-36485 D06ZUK 10,11-Dihydro-N,N-dimethyl-5H-dibenz[b,f]azepine-5-propanamine Dimipressin 3-(10,11-dihydro-5h-dibenz[b,f]azepin-5-yl)propyldimethylamine Dynaprin 5,e]azepine G-22355 (Salt/Mix) 5H-Dibenz(b, 10,11-dihydro-5-(3-(dimethylamino)propyl)- Imipramil (TN) 5H-Dibenz(b,f)azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl-(9CI) Imipraminum AB00053486_17 Imizinum (Salt/Mix) Antideprin (TN) Janimine (hydrochloride) BRD-K38436528-003-05-5 KBioGR_000391 MRF-0000592 NCGC00015563-04 NCGC00015563-13 NSC-169866 Prestwick2_000072 SK-Pramine Spectrum_000915 Tofranil (hydrochloride) Tox21_110174 Lopac-I-7379 Censtin (3-{2-azatricyclo[9.4.0.0;{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl}propyl)dimethylamine DB00458 2,2'-(3-Dimethylaminopropylimino)dibenzyl DSSTox_CID_23881 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE Eupramin 5-(3-Dimethylaminopropyl)-10,11-dihydro-5H-dibenzo(b,f)azepine HSDB 3100 5H-Dibenz(b,f)azepine, 10,11-dihydro-5-(3-(dimethylamino)propyl)- Imipramina [INN-Spanish] 5H-Dibenz[b,f]azepine, 5-[3-(dimethylamino)propyl]-10,11-dihydro- Imizin AJ-08423 Intalpram BCGWQEUPMDMJNV-UHFFFAOYSA-N KBio1_000559 BSPBio_000283 N-(gamma-Dimethylaminopropyl)iminodibenzyl NCGC00015563-07 Nelipramin Oprea1_200908 Psychoforin SPBio_002204 Surplix (Salt/Mix) Tofranil base W-109253 MCULE-9471074673 CAS-113-52-0 CHEMBL11 1-(3-Dimethylaminopropyl)-4,5-dihydro-2,3,6,7-dibenzazepine Deprinol (TN) 3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine DTXSID1043881 5,6-Dihydro-N-[3-(dimethylamino)propyl]-11H-dibenz[b,e]azepine FT-0697093 50-49-7 Imavate (Salt/Mix) 5H-Dibenz(b,f)azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl- Imipramine (INN) AB00053486-15 Imizine (Salt/Mix) AN-41560 Irmin (TN) BIDD:GT0116 KBio2_006531 Melipramine NCGC00015563-02 NCGC00015563-10 Norfranil Prestwick0_000072 SBI-0050680.P004 Spectrum4_000016 Tofranil Tofranil-PM ZINC20245 CCRIS 9173 D08070 113-52-0 (mono-hydrochloride) DivK1c_000559 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-propan-1-amine Dynaprin (TN) 5-(3-(Dimethylamino)propyl)-10,11-dihydro-5H-dibenz(b,f)azepine GTPL357 5H-Dibenz(b, 5-(3-(dimethylamino)propyl)-10,11-dihydro- Imipramin 5H-Dibenz[b, 10,11-dihydro-N,N-dimethyl- Imipraminum [INN-Latin] AC1L1GIE Impramine API0006755 Janimine (TN) BRD-K38436528-003-15-4 KBioSS_001395 N-(.gamma.-Dimethylaminopropyl)iminodibenzyl NCGC00015563-05 NCGC00024253-03 NSC169866 Prestwick3_000072 SK-Pramine (Salt/Mix) STL416211 Tofranil (Salt/Mix) Tox21_110174_1 Lopac0_000702 CHEBI:47499 Declomipramine 3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethyl-1-propanamine DSSTox_GSID_43881 Eupramin (Salt/Mix) 5-(3-Dimethylaminopropyl)-10,f)azepine IDI1_000559 5H-Dibenz(b,f)azepine, 5-(3-(dimethylamino)propyl)-10,11-dihydro- Imipramina [Italian] 5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl- Imizin (Salt/Mix) AK116463 Iramil BDBM50010859 KBio2_001395 BSPBio_002172 [ Show all ]
Inchi Key	BCGWQEUPMDMJNV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
PubChem CID	3696
ChEMBL	CHEMBL11
IUPHAR	357
BindingDB	50010859
DrugBank	DB00458
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	PMID8699	BindingDB

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