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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	PD-168077
Molecular formula	C20H22N4O
IUPAC name	N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-3-methylbenzamide
Molecular weight	334.423
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.0
Synonyms	BCP08352 Lopac0_000969 NCGC00015791-03 PD 168077 Biomol-NT_000050 D0G8VU N-[4-(2-Cyano-phenyl)-piperazin-1-ylmethyl]-3-methyl-benzamide NCGC00024977-01 PD168,077 190383-31-4 AC1MURTZ CCG-205049 L000473 NCGC00015791-01 NOCAS_44007 Tocris-1065 BDBM50058225 CHEMBL45244 LS-193029 NCGC00015791-04 PD-168,077 BPBio1_001301 DTXSID7044007 n-[[4-(2-cyanophenyl)-1-piperazinyl]methyl]-3-methyl-benzamide NCGC00024977-02 PD168077 AKOS028108749 CHEBI:94634 Lopac-P-233 NCGC00015791-02 PD 168,077 maleate salt ZINC25758996 Benzamide, N-[[4-(2-cyanophenyl)-1-piperazinyl]methyl]-3-methyl- CJ-17431 N-((4-(2-cyanophenyl)piperazin-1-yl)methyl)-3-methylbenzamide NCGC00015791-05 BRD-K47761761-103-01-8 GTPL975 N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-3-methylbenzamide NCGC00024977-03 SCHEMBL4002275 [ Show all ]
Inchi Key	DNULYRGWTFLJQL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)
PubChem CID	3645619
ChEMBL	CHEMBL45244
IUPHAR	975
BindingDB	50058225
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	4610.6 nM	PubChem BioAssay data set	ChEMBL
Potency	12589.3 nM	PubChem BioAssay data set	ChEMBL

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