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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	PAPP
Molecular formula	C19H22F3N3
IUPAC name	4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]aniline
Molecular weight	349.401
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.0
Synonyms	1-(2-(4-Aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine AC1Q4K3D CHEBI:92250 HMS2232I03 LY 165,163 NCGC00015907-01 NCGC00261817-01 SCHEMBL3976547 4-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)aniline Biomol-NT_000160 CTK8D5097 J-011585 LY-165,163, solid NCGC00015907-04 p-Aminophenethyl-m-trifluoromethylphenyl piperazine SR-01000075576-1 8HAJ699EWG C19H22F3N3 EU-0101132 LP01132 MFCD00055098 NCGC00094399-02 PAPP (LY-165,163) SELECTIVE 5-HT1A SERO ZINC1619831 AKOS030547154 HMS3263D05 LY 165163 NCGC00015907-02 NCI60_009079 SMR000326833 4-[2-[4-[3-(Trifluoromethyl)phenyl]-1-piperazinyl]ethyl]benzeneamine BPBio1_000375 D0T4PS Lopac-S-009 LY-165,163; p-Aminophenethyl-m-trifluoromethylphenyl piperazine NCGC00015907-05 p-NH2-PE-Tfmpp Tox21_501132 AC1L3TO7 CCG-205206 GTPL18 LS-173712 MLS000859974 NCGC00094399-03 S-009 1814-64-8 Benzenamine, 4-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)- CHEMBL1256693 HMS3369D03 LY-165,163 NCGC00015907-03 NSC628235 SR-01000075576 4-[2-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]ethyl]aniline BRD-K14282469-001-01-5 DTXSID30171136 Lopac0_001132 LY-165163 NCGC00094399-01 UNII-8HAJ699EWG [ Show all ]
Inchi Key	GAAKALASJNGQKD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H22F3N3/c20-19(21,22)16-2-1-3-18(14-16)25-12-10-24(11-13-25)9-8-15-4-6-17(23)7-5-15/h1-7,14H,8-13,23H2
PubChem CID	121930
ChEMBL	CHEMBL1256693
IUPHAR	18
BindingDB	N/A
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	517.3 nM	PubChem BioAssay data set	ChEMBL
Potency	1122.0 nM	PubChem BioAssay data set	ChEMBL

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