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GPCR

Name	D(1A) dopamine receptor
Species	Homo sapiens (Human)
Gene	DRD1
Synonym	D1 receptor D1A DADR Gpcr15 dopamine D1 receptor Dopamine-1A receptor [ Show all ]
Disease	Unspecified Hypertension Pain Parkinson's disease Psychiatric disorder Psychotic disorders Schizophrenia Substance dependence Type 2 diabetes Excessive bleeding following childbirth and spontaneous or elective abortion Cocaine addiction Dementia Cognitive disorders [ Show all ]
Length	446
Amino acid sequence	MRTLNTSAMDGTGLVVERDFSVRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPFGSFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFRYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTSPSDGNATSLAETIDNCDSSLSRTYAISSSVISFYIPVAIMIVTYTRIYRIAQKQIRRIAALERAAVHAKNCQTTTGNGKPVECSQPESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFILNCILPFCGSGETQPFCIDSNTFDVFVWFGWANSSLNPIIYAFNADFRKAFSTLLGCYRLCPATNNAIETVSINNNGAAMFSSHHEPRGSISKECNLVYLIPHAVGSSEDLKKEEAAGIARPLEKLSPALSVILDYDTDVSLEKIQPITQNGQHPT
UniProt	P21728
Protein Data Bank	N/A
GPCR-HGmod model	P21728
3D structure model	This predicted structure model is from GPCR-EXP P21728.
BioLiP	N/A
Therapeutic Target Database	T22118
ChEMBL	CHEMBL2056
IUPHAR	214
DrugBank	BE0000020

Ligand

Name	Tbhpbo
Molecular formula	C14H21N3O3
IUPAC name	4-[3-(tert-butylamino)-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one
Molecular weight	279.34
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	0.5
Synonyms	4-[3-(tert-butylamino)-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one 81047-99-6 Cgp 12177 GTPL532 L000166 SCHEMBL2016211 (+/-)-CGP-12177A hydrochloride 4-[3-(tert-butylamino)-2-hydroxypropoxy]-2,3-dihydro-1H-1,3-benzodiazol-2-one hydrochloride BDBM25747 CGP-12177A D01RRT KBio2_002438 NCGC00015184-03 Spectrum_001907 2H-Benzimidazol-2-one, 4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)- C14H19N3O3 CGP12177A DivK1c_006872 KBioGR_001194 NCGC00025024-02 [3H]CGP 12177 4-(3-tert-Butylamino-2-hydroxypropoxy)benzimidazol-2-one 4-[3-(tert-butylamino)-2-hydroxypropoxy]-1h-benzimidazol-2-ol AC1L1E8K Cgp 12177A CHEMBL420746 GTPL5387 Lopac0_000372 SpecPlus_000776 4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-1,3-dihydro-2h-benzimidazol-2-one BDBM50027879 CGP-12177A hydrochloride D03BZW KBio2_005006 NCGC00015184-04 2H-Benzimidazol-2-one, 4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1,3-dihydro- CCG-204467 CHEBI:73288 FT-0708718 KBioSS_002444 NCGC00025024-03 [3H]CGP12177 4-[3-(tert-butylamino)-2-hydroxypropoxy]-1,3-dihydro-2H-benzimidazol-2-one 4-[3-(tert-butylamino)-2-hydroxypropoxy]-2,3-dihydro-1H-1,3-benzodiazol-2-one AC1Q6M3F Cgp-12177 CTK5E8414 KBio1_001816 LS-177605 Spectrum4_000777 BRD-A34706053-003-01-9 CGP12177 D06SAW KBio2_007574 NCGC00015184-05 [3H]-CGP12177 2H-Benzimidazol-2-one,4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-1,3-dihydro- [ Show all ]
Inchi Key	UMQUQWCJKFOUGV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19)
PubChem CID	2687
ChEMBL	CHEMBL420746
IUPHAR	532, 5387
BindingDB	25747, 50027879
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	4109.2 nM	PubChem BioAssay data set	ChEMBL

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