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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	D(1A) dopamine receptor
Species	Mus musculus (Mouse)
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	MAPNTSTMDETGLPVERDFSFRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPFGSFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFQYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTWPLDGNFTSLEDAEDDNCDTRLSRTYAISSSLISFYIPVAIMIVTYTSIYRIAQKQIRRISALERAAVHAKNCQTTTGNGNPVECSQSESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFISNCMVPFCGSEETQPFCIDSITFDVFVWFGWANSSLNPIIYAFNADFQKAFSTLLGCYRLCPTTNNAIETVSINNNGAVMFSSHHEPRGSISKDCNLVYLIPHAVGSSEDLKREEAGGIPKPLEKLSPALSVILDYDTDVSLEKIQPVTHSGQHST
UniProt	Q61616
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	CHEMBL3071
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	DUP-734 free base
Molecular formula	C17H22FNO
IUPAC name	2-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(4-fluorophenyl)ethanone
Molecular weight	275.367
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.2
Synonyms	1-(Cyclopropylmethyl)-4-(2'-(4"-fluorophenyl)-2'-oxoethyl)piperidine BDBM50002218 L004958 135135-80-7 CHEMBL543412 T033730RWW 1-(cyclopropylmethyl)-4-(2'-(4''-fluorophenyl)-2'-oxo-ethyl)-piperidine LS-187606 2-(1-Cyclopropylmethyl-piperidin-4-yl)-1-(4-fluoro-phenyl)-ethanone; hydrobromide D0Z4QV UNII-T033730RWW 1-(4-Fluorophenyl)-2-[1-(cyclopropylmethyl)piperidin-4-yl]ethanone AC1L3TQY KWRMWQDKOGFMKP-UHFFFAOYSA-N 1-(Cyclopropylmethyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]piperidine hydrobromide CHEMBL42228 SCHEMBL7358803 2-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(4-fluorophenyl)ethanone DTXSID80159262 ZINC4902 [ Show all ]
Inchi Key	KWRMWQDKOGFMKP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H22FNO/c18-16-5-3-15(4-6-16)17(20)11-13-7-9-19(10-8-13)12-14-1-2-14/h3-6,13-14H,1-2,7-12H2
PubChem CID	121968
ChEMBL	CHEMBL42228
IUPHAR	N/A
BindingDB	50002218
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	<1000.0 nM	PMID1360026	BindingDB

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