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GLASS

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GPCR

Name	Alpha-2A adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA2A
Synonym	alpha2D alpha2A-AR alpha2A-adrenoceptor alpha2A-adrenergic receptor alpha2A Alpha-2AAR Adra-2 Adra-2a ADRA2 ADRA2R Adrenergic alpha 2A receptor adrenergic receptor Alpha-2 adrenergic receptor subtype C10 Alpha-2A adrenoceptor Alpha-2A adrenoreceptor [ Show all ]
Disease	Attention deficit hyperactivity disorder Sexual dysfunction Pain
Length	450
Amino acid sequence	MGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVISFPPLISIEKKGGGGGPQPAEPRCEINDQKWYVISSCIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDAVAAPPGGTERRPNGLGPERSAGPGGAEAEPLPTQLNGAPGEPAPAGPRDTDALDLEESSSSDHAERPPGPRRPERGPRGKGKARASQVKPGDSLPRRGPGATGIGTPAAGPGEERVGAAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPRTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
UniProt	P08913
Protein Data Bank	N/A
GPCR-HGmod model	P08913
3D structure model	This predicted structure model is from GPCR-EXP P08913.
BioLiP	N/A
Therapeutic Target Database	T11448
ChEMBL	CHEMBL1867
IUPHAR	25
DrugBank	BE0000289

Ligand

Name	tolazoline
Molecular formula	C10H12N2
IUPAC name	2-benzyl-4,5-dihydro-1H-imidazole
Molecular weight	160.22
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	2.6
Synonyms	2-Benzylimidazoline MFCD00005182 59-98-3 NSC35110 AKOS000357643 Prestwick3_000060 BDBM55436 SPBio_000988 Benzolin (vasodilator) (VAN) ST45026160 C07147 CS-3181 Vasodil DTXSID3023683 Imidalin 2-benzyl imidazoline KBio2_006347 KBioSS_001211 4,5-Dihydro-2-(phenylmethyl)-1H-imidazole NCGC00016271-02 AB00053555_14 Phenylmethylimidazoline ANW-33402 Priscoline Benzazoline Spectrum3_000594 BRD-K46211610-003-05-1 Tolazine [veterinary] Tolazoline [INN:BAN] ZINC125006 FT-0603251 1H-Imidazole, 4,5-dihydro-2-(phenylmethyl)- (9CI) Kasimid 2-Benzyl-4,5-dihydro-1H-imidazole 2-Benzyl-4,5-imidazoline LS-79571 NSC 35110 ACMC-209mh8 Prestwick1_000060 B3806 SC-96012 Benzolin (VAN) Spectrum_000731 BSPBio_000219 Tolazolina Ciba 3259 UNII-CHH9H12AQ3 Divascol IDI1_000328 2-(phenylmethyl)-4,5-dihydro-1H-imidazole KBio2_001211 KBio3_001568 2-Benzylimidazoline, 99% MolPort-002-626-489 Olitensol AN-23625 Pridazole Benzalolin SPBio_002140 Benzylimidazoline STL362893 CAS-59-97-2 Tolazoline (INN) D03RZV Vasodilatan EINECS 200-448-9 059T983 Imidaline 2-Benzyl-2-imidazoline L000960 4CH-003537 NCGC00016271-03 AB0010715 Prefaxil Artonil SBB003964 Benzidazol Spectrum4_000357 BRD-K46211610-003-15-0 Tolazine [veterinary] (TN) CHEMBL770 Tolazolinum DB00797 GTPL7310 1H-Imidazole, 4,5-dihydro-2-(phenylmethyl)-(9CI) KB-61755 2-Benzyl-4,5-dihydro-1H-imidazole # 2-BENZYL-4,5-IMIDAZOLINE HCl MCULE-5694308124 59-97-2 (mono-hydrochloride) NSC-35110 AJ-11901 Prestwick2_000060 BBL027502 SCHEMBL34961 Benzolin (vasodilator) ST24040015 BSPBio_002068 Tolazolina [INN-Spanish] cid_6048 Vasimid DivK1c_000328 IMI037 2-(phenylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride KBio2_003779 KBioGR_000793 2-IMIDAZOLINE, 2-BENZYL- NCGC00016271-01 AB00053555-12 Peripherine AN-41799 Priscol Benzazolin Spectrum2_001204 BPBio1_000241 TC-122147 CHEBI:28502 Tolazoline Monohydrochloride D08614 WLN: T5M CN BUTJ B1R FD7203 1H-Imidazole, 4,5-dihydro-2-(phenylmethyl)- JIVZKJJQOZQXQB-UHFFFAOYSA-N 2-benzyl-2-imidazoline;hydrochloride 2-benzyl-4,5-dihydro-1H-imidazole;hydrochloride Lambril 5-23-06-00488 (Beilstein Handbook Reference) NINDS_000328 AC1L1KHM Prestwick0_000060 AS-49302 SBI-0051536.P003 Benzolin Spectrum5_001788 BRN 0128757 Tolazolin CHH9H12AQ3 Tolazolinum [INN-Latin] Dilatol ASI HY-A0066 1H-Imidazole,5-dihydro-2-(phenylmethyl)- KBio1_000328 [ Show all ]
Inchi Key	JIVZKJJQOZQXQB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
PubChem CID	5504
ChEMBL	CHEMBL770
IUPHAR	7310
BindingDB	55436
DrugBank	DB00797
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
Ki	24.0 nM	PMID1656026	BindingDB
Ki	229.0 nM	PMID9605427	IUPHAR
Ki	229.09 nM	PMID9605427	BindingDB

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