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GLASS

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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	MLS000099123
Molecular formula	C17H15NO5
IUPAC name	methyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)benzoate
Molecular weight	313.309
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.9
Synonyms	2-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]benzoic acid methyl ester CHEBI:112199 methyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)benzoate SR-01000464060-1 AC1LEJTF cid_713311 ZINC107105 BIM-0040924.P001 MCULE-2068922344 SMR000070513 CHEMBL1437967 methyl 2-(2H,3H-benzo[3,4-e]1,4-dioxan-6-ylcarbonylamino)benzoate ST50879520 AKOS001658691 HMS2318I10 MolPort-000-391-898 CBMicro_040942 methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)benzoate SR-01000464060 2-(2,3-dihydro-1,4-benzodioxin-6-carbonylamino)benzoic acid methyl ester AB00101988-01 ChemDiv1_007161 methyl 2-[(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)amino]benzoate STK393310 BDBM49078 HMS607F11 Oprea1_275505 [ Show all ]
Inchi Key	AWFOICWLUXROFE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H15NO5/c1-21-17(20)12-4-2-3-5-13(12)18-16(19)11-6-7-14-15(10-11)23-9-8-22-14/h2-7,10H,8-9H2,1H3,(H,18,19)
PubChem CID	713311
ChEMBL	N/A
IUPHAR	N/A
BindingDB	49078
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	0.0365 nM	N/A	BindingDB

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