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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	D(1A) dopamine receptor
Species	Bos taurus (Bovine)
Gene	DRD1
Synonym	Dopamine D1 receptor
Disease	N/A for non-human GPCRs
Length	446
Amino acid sequence	MRTLNTSTMEGTGLVAERDFSFRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPFGSFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFRYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTGPSEGNATSLGKTINNCDSSLSRTYAISSSLISFYIPVAIMIVTYTRIYRIAQKQIRRISALERAAVHAKNCQTTTGNGNPMECSQPESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFILNCMVPFCGSGETKPFCIDSITFDVFVWFGWANSSLNPIIYAFNADFRKAFSTLLGCYRLCPTTNNAIETVSINNNGAVVFSSHHEPRGSISKDCNVVYLIPHAVGSSEGLKKEEAVGIAKPLEKLSPALSVILDYDTDVSLEKIQPITQNGQHPT
UniProt	Q95136
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	CHEMBL2967
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL54266
Molecular formula	C23H32N2O4S
IUPAC name	N-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]propyl]-4-methylbenzenesulfonamide
Molecular weight	432.579
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.3
Synonyms	CHEMBL280586 5-METHOXY-3-{N-PROPYL-N-[3-(4-TOLUENESULFONYLAMINO)PROPYL]AMINO}CHROMAN SCHEMBL9305461 BDBM50036847 5-Methoxy-3-{N-propyl-N-(3-(4-toluenesulfonylamino)propyl]amino}chroman 5-Methoxy-3-{N-Propyl-N-[3-(4-Toluenesulfonylamino) -Propyl]Amino}Chroman N-{3-[(5-Methoxy-chroman-3-yl)-propyl-amino]-propyl}-4-methyl-benzenesulfonamide; compound with oxalic acid AQJAKCNEOWYUTG-UHFFFAOYSA-N [ Show all ]
Inchi Key	AQJAKCNEOWYUTG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H32N2O4S/c1-4-14-25(19-16-21-22(28-3)7-5-8-23(21)29-17-19)15-6-13-24-30(26,27)20-11-9-18(2)10-12-20/h5,7-12,19,24H,4,6,13-17H2,1-3H3
PubChem CID	9980269
ChEMBL	CHEMBL280586
IUPHAR	N/A
BindingDB	50036847
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	20000.0 nM	PMID7912735	BindingDB

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