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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	Amperozide
Molecular formula	C23H29F2N3O
IUPAC name	4-[4,4-bis(4-fluorophenyl)butyl]-N-ethylpiperazine-1-carboxamide
Molecular weight	401.502
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.1
Synonyms	4-(4,4-Bis(p-fluorophenyl)butyl)-N-ethyl-1-piperazinecarboxamide Amperozida [INN-Spanish] BRD-K52397688-001-01-9 DB08927 LS-177195 UNII-0M2W3TAG39 75558-90-6 Amperozide [INN:BAN] CHEBI:92913 FG-5606 NCGC00015081-03 1-Piperazinecarboxamide, 4-(4,4-bis(p-fluorophenyl)butyl)-N-ethyl- AKOS030548015 API0008640 D0V4JO Lopac-A-6976 PDSP2_000730 C23H29F2N3O DTXSID6048416 NCGC00015081-01 ZINC4214849 AC1L2JOA Amperozidum Hogpax vet. NCGC00162051-01 4-(4,4-Bis(4-fluorphenyl)butyl)-N-ethyl-1-piperazinecarboxamid Amperozida BDBM50311786 Lopac0_000040 SCHEMBL340961 75529-73-6 (hydrochloride) Amperozide [BAN:INN] CCG-204136 FG 5606 NCGC00015081-02 0M2W3TAG39 AC1Q4NM7 Amperozidum [INN-Latin] CHEMBL1079935 L000997 PDSP1_000742 [ Show all ]
Inchi Key	NNAIYOXJNVGUOM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H29F2N3O/c1-2-26-23(29)28-16-14-27(15-17-28)13-3-4-22(18-5-9-20(24)10-6-18)19-7-11-21(25)12-8-19/h5-12,22H,2-4,13-17H2,1H3,(H,26,29)
PubChem CID	73333
ChEMBL	CHEMBL1079935
IUPHAR	N/A
BindingDB	50311786
DrugBank	DB08927
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	1778.3 nM	PubChem BioAssay data set	ChEMBL
Potency	1835.5 nM	PubChem BioAssay data set	ChEMBL
Potency	15848.9 nM	PubChem BioAssay data set	ChEMBL

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