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GLASS

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GPCR

Name	D(1A) dopamine receptor
Species	Rattus norvegicus (Rat)
Gene	Drd1
Synonym	D1 receptor D1A DADR dopamine D1 receptor Dopamine-1A receptor Gpcr15 [ Show all ]
Disease	N/A for non-human GPCRs
Length	446
Amino acid sequence	MAPNTSTMDEAGLPAERDFSFRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPLGPFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFQYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTWPLDGNFTSLEDTEDDNCDTRLSRTYAISSSLISFYIPVAIMIVTYTSIYRIAQKQIRRISALERAAVHAKNCQTTAGNGNPVECAQSESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFISNCMVPFCGSEETQPFCIDSITFDVFVWFGWANSSLNPIIYAFNADFQKAFSTLLGCYRLCPTTNNAIETVSINNNGAVVFSSHHEPRGSISKDCNLVYLIPHAVGSSEDLKKEEAGGIAKPLEKLSPALSVILDYDTDVSLEKIQPVTHSGQHST
UniProt	P18901
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL265
IUPHAR	214
DrugBank	N/A

Ligand

Name	(E)-Flupenthixol
Molecular formula	C23H25F3N2OS
IUPAC name	2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol
Molecular weight	434.521
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.5
Synonyms	EINECS 258-759-0 Flupentixol (INN) NCGC00015425-01 SCHEMBL414352 (trans-flupenthixol)2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol 895OJP78MJ BDBM50026957 CHEMBL42055 FLUPENTHIXOL, Alpha FLUPENTIXOLE PDSP1_001542 trans-flupenthixol 1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)-, (E)- 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol AC1Q4JZJ CAS-2413-38-9 D0OC3J DTXSID50110027 Flupentiol Lopac-F-114 PDSP2_001527 UNII-895OJP78MJ (E)-4-(3-(2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)piperazine-1-ethanol 2-(4-{3-[2-Trifluoromethyl-thioxanthen-(9E)-ylidene]-propyl}-piperazin-1-yl)-ethanol 53772-85-3 AJ-83562 CHEBI:93235 Fluanxol (TN) Flupentixol [INN:DCF] NCGC00015425-02 trans(E)Flupenthixol (Z)-2-[4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol 2-[4-[3-[2-(trifluoromethyl)-9-thioxanthenylidene]propyl]-1-piperazinyl]ethanol BDBM86722 cis(Z)Flupenthixol Depixol Flupenthixol, Beta GTPL968 PDSP1_001543 trans-Flupentixol (cis) 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol(Flupentixol) 1-Piperazineethanol, 4-[(3E)-3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]- 2709-56-0 ACM2709560 CAS_53772-82-0 E-Flupentixol Flupentixol LS-112583 SCHEMBL145726 ZINC28643021 2-Trifluoromethyl-9-(3-(4-(beta-hydroxyethyl)-1-piperazinyl)propylidene)thioxanthene 709F560 AKOS003588967 FLUPENTHIXOL Flupentixol, (E)- NSC_17012 trans-(E)-Flupentixol 1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)-(9CI) 2-[4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol AC1NQZ89 beta-Flupenthixol D0M4RW Depixol (TN) FLUPENTHIXOL2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol L000188 PDSP2_001526 UNII-21HMQ851IS component NJMYODHXAKYRHW-BLLMUTORSA-N (E)-4-(3-(2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)-1-piperazineethanol 2-(4-{3-[2-(trifluoromethyl)-9h-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethanol ACM51529023 CAS_53772-85-3 [ Show all ]
Inchi Key	NJMYODHXAKYRHW-BLLMUTORSA-N
Inchi ID	InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+
PubChem CID	5281878
ChEMBL	CHEMBL42055
IUPHAR	968
BindingDB	50026957
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	0.32 nM	PMID2415793	BindingDB
Ki	4.3 nM	PMID6387355	BindingDB
Ki	37.8 nM	PMID9748351	ChEMBL
Ki	38.0 nM	PMID9748351	BindingDB
Ki	474.0 nM	PMID2415793	BindingDB
Ki	907.0 nM	PMID6387355	BindingDB

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