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GLASS

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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	protriptyline
Molecular formula	C19H21N
IUPAC name	N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)propan-1-amine
Molecular weight	263.384
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	4.4
Synonyms	4NDU154T12 Protriptyline [INN:BAN] 5H-Dibenzo[a,d]cycloheptene-5-propylamine, N-methyl- SPBio_003019 Amimetilina Vivactil (TN) BRN 2217411 CHEMBL668 GTPL7285 MCULE-6023848462 NCGC00015851-01 Normethyl EX4442 Prestwick1_000930 Protriptilina Protryptyline AB00489964_10 Triptil hydrochloride Apo-Trimip C07408 D00MYQ L000913 MK-240 NCGC00015851-04 Novopramine 3-(11H-dibenzo[[?],[?]][7]annulen-11-yl)-N-methyl-propan-1-amine 3-(5H-dibenzo[a,d][7]annulen-5-yl)-N-methylpropan-1-amine 5H-Dibenzo[a, d]cycloheptene-5-propanamine, N-methyl-, hydrochloride SBI-0050947.P002 ACM438608 Vivactil BPBio1_000924 CHEBI:8597 DTXSID0023535 LS-60771 N-Methyl-5H-dibenzo[a,d]cycloheptene-5-propanamine NCGC00015851-07 PDSP2_001374 5-(3-Methylaminopropyl)-5H-dibenzo(a,d)cycloheptene Protriptylinum 7-(3-Methylaminopropyl)-1,2:5,6-dibenzocycloheptatriene Triadapin 5 AN-5942 Vivactyl BSPBio_000840 Concordin HSDB 3391 methyl(3-{tricyclo[9.4.0.0;{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-yl}propyl)amine NCGC00015851-02 Novo-Doxepin 1225-55-4 (HYDROCHLORIDE) Prestwick2_000930 Protriptilina [INN-Spanish] 5H-Dibenzo(a,d)cycloheptene-5-propanamine, N-methyl- PROTRYPTYLINE HYDROCHLORIDE AC-15971 Triptyl BDBM50176062 CAS-1225-55-4 D08447 Lopac-P-8813 N-3-(5H-Dibenzo(a,d)cyclohepten-5-yl)propyl-N-methylamine NCGC00015851-05 NSC169912 3-(5H-Dibenzo[a,d]cyclohepten-5-yl)-N-methyl-1-propanamine 438-60-8 Protriptyline (INN) 5H-Dibenzo[a,d]cycloheptene-5-propanamine, N-methyl- SCHEMBL34267 AKOS015962184 Vivactil (Salt/Mix) BRD-K42098891-003-03-1 EINECS 207-119-9 Maximed N-Methyl-5H-dibenzo[a,d]cycloheptene-5-propylamine NCGC00024439-03 Prestwick0_000930 Prestwick3_000930 5-(3-Methylaminopropyl)-5H-Dibenzo[a,d]cycloheptene Protriptylinum [INN-Latin] AB00489964 Triptil Apo-Imipramine ZINC1530764 BWPIARFWQZKAIA-UHFFFAOYSA-N Concordin (Salt/Mix) Impril MK 240 NCGC00015851-03 Novo-Tripramine 3-(11H-dibenzo[1,2-a:1',2'-e][7]annulen-11-yl)-N-methylpropan-1-amine Protriptylin 5H-Dibenzo(a,d)cycloheptene-5-propylamine, N-methyl- Rhotrimine AC1L1JCC UNII-4NDU154T12 BIDD:PXR0157 CCG-205054 DB00344 Lopac0_000974 N-Methyl-5H-dibenzo(a,d)cycloheptene-5-propylamine NCGC00015851-06 PDSP1_001390 3-(5H-Dibenzo[a,d]cyclohepten-5-yl)-N-methyl-1-propanamine # [ Show all ]
Inchi Key	BWPIARFWQZKAIA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3
PubChem CID	4976
ChEMBL	CHEMBL668
IUPHAR	N/A
BindingDB	50176062
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	2059.5 nM	PubChem BioAssay data set	ChEMBL
Potency	11220.2 nM	PubChem BioAssay data set	ChEMBL

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