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GPCR

Name	Trace amine-associated receptor 1
Species	Homo sapiens (Human)
Gene	TAAR1
Synonym	trace amine receptor 1 TAR1 TaR-1 TA1 receptor TRAR1
Disease	N/A
Length	339
Amino acid sequence	MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS
UniProt	Q96RJ0
Protein Data Bank	N/A
GPCR-HGmod model	Q96RJ0
3D structure model	This predicted structure model is from GPCR-EXP Q96RJ0.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5857
IUPHAR	364
DrugBank	BE0001044

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	Dilatol ASI HY-A0066 1H-Imidazole,5-dihydro-2-(phenylmethyl)- KBio1_000328 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] Vasodil DTXSID3023683 Imidalin 2-benzyl imidazoline KBio2_006347 2-Benzylimidazoline MFCD00005182 59-98-3 NSC35110 AKOS000357643 Prestwick3_000060 BDBM55436 SPBio_000988 Benzolin (vasodilator) (VAN) ST45026160 C07147 CS-3181 ZINC125006 FT-0603251 1H-Imidazole, 4,5-dihydro-2-(phenylmethyl)- (9CI) Kasimid 2-Benzyl-4,5-dihydro-1H-imidazole 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] Divascol IDI1_000328 2-(phenylmethyl)-4,5-dihydro-1H-imidazole KBio2_001211 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 Vasodilatan EINECS 200-448-9 059T983 Imidaline 2-Benzyl-2-imidazoline 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 DB00797 GTPL7310 1H-Imidazole, 4,5-dihydro-2-(phenylmethyl)-(9CI) KB-61755 2-Benzyl-4,5-dihydro-1H-imidazole # L000960 4CH-003537 NCGC00016271-03 AB0010715 Prefaxil Artonil SBB003964 Benzidazol Spectrum4_000357 BRD-K46211610-003-15-0 Tolazine [veterinary] (TN) CHEMBL770 Tolazolinum DivK1c_000328 IMI037 2-(phenylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride KBio2_003779 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 WLN: T5M CN BUTJ B1R FD7203 1H-Imidazole, 4,5-dihydro-2-(phenylmethyl)- JIVZKJJQOZQXQB-UHFFFAOYSA-N 2-benzyl-2-imidazoline;hydrochloride 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 [ 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
EC50	1011.0 nM	N/A	BindingDB
IC50	4742.0 nM	N/A	BindingDB
Ki	1640.0 nM	PMID22795332	BindingDB,ChEMBL

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