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GLASS

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GPCR

Name	D(3) dopamine receptor
Species	Homo sapiens (Human)
Gene	DRD3
Synonym	dopaminergic receptor D3 D3R D3 receptor dopamine D3 receptor
Disease	Unspecified Emesis; Gastric motility disorder Female sexual dysfunction Male sexual disorders Psychotic disorders Cocaine addiction Schizophrenia Drug abuse [ Show all ]
Length	400
Amino acid sequence	MASLSQLSSHLNYTCGAENSTGASQARPHAYYALSYCALILAIVFGNGLVCMAVLKERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASILNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTTGDPTVCSISNPDFVIYSSVVSFYLPFGVTVLVYARIYVVLKQRRRKRILTRQNSQCNSVRPGFPQQTLSPDPAHLELKRYYSICQDTALGGPGFQERGGELKREEKTRNSLSPTIAPKLSLEVRKLSNGRLSTSLKLGPLQPRGVPLREKKATQMVAIVLGAFIVCWLPFFLTHVLNTHCQTCHVSPELYSATTWLGYVNSALNPVIYTTFNIEFRKAFLKILSC
UniProt	P35462
Protein Data Bank	3pbl
GPCR-HGmod model	P35462
3D structure model	This structure is from PDB ID 3pbl.
BioLiP	BL0191566, BL0191567
Therapeutic Target Database	T02551
ChEMBL	CHEMBL234
IUPHAR	216
DrugBank	BE0000581

Ligand

Name	pramipexole
Molecular formula	C10H17N3S
IUPAC name	(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
Molecular weight	211.327
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	1.9
Synonyms	Mirapexin (TN) (s)-2-amino-6-propylamino-4,5,6,7-tetrahydrobenzothiazole Oprymea 111GE001 Pramipexole [USAN:INN:BAN] 83619PEU5T SCHEMBL35376 AC1L3P1T Spectrum5_001453 CCG-100823 SUD919CL2Y D05575 DSSTox_GSID_23496 HMS2090C15 KBio2_004908 (-)-Pramipexole MolPort-003-849-957 (S)-N6-Propyl-4,5,6,7-tetrahydrobenzothiazole-2,6-diamine 2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N6-propyl-, (S)- Pramipexolum [Latin] AB00053772-12 SMR000449298 ANW-64032 SR-01000763219-5 CHEMBL301265 Tox21_112445 EC 600-593-1 HY-B0410 KS-00000A3W (6S)-N'-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine (s)-(-)-2-amino-6-n-propylamino-4,5,6,7-tetrahydrobenzothiazole NCGC00167441-02 1-(4-Fluorophenyl)-4-[4-(2-pyridinyl)-1-piperaziny Pramipexole Base SAM001247006 AB00053772_16 SND-919CL2Y BIDD:GT0250 SUD 919CL2Y CTK8C0068 UNII-83619PEU5T DS-14807 GTPL953 KBio1_001860 Mirapex (TN) MLS000758250 (S)-2-amino-6-propylamino-4,5,6,7-tetrahydrobenzthiazole;(S)-2-amino-6-propylamino-4,5,6,7-tetrahydrobenzthiazole Pramipexol 2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N(sup 6)-propyl-, (S)- Pramipexole [USAN:INN] Sifrol AJ-45593 Spectrum_001838 CHEBI:8356 SW197453-4 D0G8NN DSSTox_RID_77054 HMS2232B03 KBio2_007476 (6S)-4,5,6,7-tetrahydro-N6-propyl-2,6-benzothiazole-diamine NC00073 (S)-N6-Propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine Pramipexole (Mirapex) 2-amino-4,5,6,7-tetrahydro-6-propylaminobenzothiazole RT-015572 AB00053772-13 SND 919 B1488 SR-01000763219-6 CPD000449298 Tox21_112445_1 DB00413 FASDKYOPVNHBLU-ZETCQYMHSA-N J-001211 LS-40722 (6S)-N(6)-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine (S)-2-Amino-4,5,6,7-tetrahydro-6-(propylamino)benzothiazole NCGC00167441-03 104632-26-0 Pramipexole Teva 632P260 SC-46343 AB0055235 SpecPlus_000820 CAS-104632-26-0 SUD-919CL2Y CX1349 ZINC3781664 DSSTox_CID_3496 HMS2051A21 KBio2_002340 (-) Pramipexole Mirapexin MLS001423952 (S)-N 6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine Pramipexol [Spanish] 2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N6-propyl-, (6S)- Pramipexolum A801025 Sifrol(TN) AK-55454 SR-01000763219 SY009549 DB-038042 DTXSID6023496 HSDB 8253 KBioSS_002343 (6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine (6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine NCGC00167441-01 (S)-Pramipexole Pramipexole (USAN/INN) 2-amino-6-propylaminotetrahydrobenzothiazole s2460 AB00053772_14 SND-919 BDBM50116766 ST24036373 CS-2510 U-98528E DivK1c_006916 FT-0651622 K-0425 Mirapex [ Show all ]
Inchi Key	FASDKYOPVNHBLU-ZETCQYMHSA-N
Inchi ID	InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1
PubChem CID	119570
ChEMBL	CHEMBL301265
IUPHAR	953
BindingDB	50116766
DrugBank	DB00413
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
EC50	1.0 nM	PMID17976986	ChEMBL
EC50	1.5 nM	PMID12161137, PMID15801839, PMID16134944	BindingDB,ChEMBL
ED50	3.7 nM	PMID24848155	ChEMBL
Efficacy	93.0 %	PMID16134944	ChEMBL
Intrinsic activity	93.0 %	PMID15801839	ChEMBL
Ki	0.7244 nM	PMID15801839	ChEMBL
Ki	0.87 nM	PMID12161137	ChEMBL
Ki	0.87 nM	PMID12161137	BindingDB
Ki	0.88 nM	PMID15801839, PMID16134944	BindingDB,ChEMBL
Ki	1.99526 - 3.98108 nM	PMID7756621, PMID7664822	IUPHAR
Ki	2.78 nM	PMID11000009	ChEMBL
Ki	8.5 nM	PMID24012118	ChEMBL
Ki	38.0 nM	PMID15801839, PMID16134944	BindingDB,ChEMBL

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