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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	BP 897
Molecular formula	C26H31N3O2
IUPAC name	N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide
Molecular weight	417.553
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.8
Synonyms	SPBio_002558 314776-92-6 BP-897 CHEBI:92310 L000139 N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide NCGC00093649-02 Tox21_500165 AC1MI4Y9 BP897, >98% (HPLC), solid D0EE6L LP00165 NCGC00015171-02 Prestwick0_000559 2-Naphthalenecarboxamide, N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)- BDBM50119380 BSPBio_000637 GTPL7625 N-[4-(4-(2-Methoxyphenyl)piperazinyl)butyl]-2-naphthamide NCGC00015171-05 Prestwick3_000559 SR-01000075725 BP-897 free base Lopac-B-9308 Naphthalene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide NCGC00260850-01 UNII-2FVL90IM8I B 9308 BPBio1_000701 DO-687 MFCD04039996 NCGC00015171-03 Prestwick1_000559 SCHEMBL2125882 2FVL90IM8I CCG-204260 HMS3260B11 N-[4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl]-2-naphthalenecarboxamide NCGC00093649-01 SR-01000075725-1 BP897 CHEMBL25236 Lopac0_000165 NCGC00015171-01 Prestwick-07H10 ZINC3917109 192384-87-5 BCP06934 BRD-K17378184-300-03-4 EU-0100165 N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-2-naphthamide NCGC00015171-04 Prestwick2_000559 [ Show all ]
Inchi Key	MNHDKMDLOJSCGN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H31N3O2/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)
PubChem CID	3038495
ChEMBL	CHEMBL25236
IUPHAR	7625
BindingDB	50119380
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	760.0 nM	PMID12361386, PMID16759104	BindingDB,ChEMBL
Potency	2592.8 nM	PubChem BioAssay data set	ChEMBL
Potency	8912.5 nM	PubChem BioAssay data set	ChEMBL

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