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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	3,3'-Difluorobenzaldazine
Molecular formula	C14H10F2N2
IUPAC name	(E)-1-(3-fluorophenyl)-N-[(E)-(3-fluorophenyl)methylideneamino]methanimine
Molecular weight	244.245
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.5
Synonyms	MolPort-003-940-930 SCHEMBL12497017 1-(3-fluorophenyl)-N-[(E)-(3-fluorophenyl)methylideneamino]methanimine BDBM50156074 CHEMBL371811 DFB, >=98% (HPLC), solid NCGC00025238-03 Tox21_500843 3,3 inverted exclamation marka-Difluorobenzaldazine BRD-K23623876-001-01-6 KB-76455 NCGC00261528-01 [(3-Fluorophenyl)methylene]hydrazone-3-fluorobenzaldehyde AC1O7H0M CHEBI:92414 N,N''''-Bis-[1-(3-fluoro-phenyl)-meth-(E)-ylidene]-hydrazine SR-01000597595 Benzaldehyde,3-fluoro-, 2-[(3-fluorophenyl)methylene]hydrazone D0F9QY HMS3262J07 NCGC00025238-04 VZ25360 C-14798 MFCD03653615 SCHEMBL12017614 1,2-Bis(3-Fluorobenzylidene)Hydrazine AKOS024456711 NCGC00025238-02 SR-01000597595-1 15332-10-2 bis(3-fluorobenzylidene)hydrazine DFB J-009001 NCGC00025238-05 ZINC13719901 CCG-222147 [ Show all ]
Inchi Key	YYMCVDNIIFNDJK-BEQMOXJMSA-N
Inchi ID	InChI=1S/C14H10F2N2/c15-13-5-1-3-11(7-13)9-17-18-10-12-4-2-6-14(16)8-12/h1-10H/b17-9+,18-10+
PubChem CID	6604893
ChEMBL	CHEMBL371811
IUPHAR	1424
BindingDB	50156074
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	1835.5 nM	PubChem BioAssay data set	ChEMBL
Potency	17782.8 nM	PubChem BioAssay data set	ChEMBL

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