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GLASS

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GPCR

Name	D(4) dopamine receptor
Species	Homo sapiens (Human)
Gene	DRD4
Synonym	D4 receptor D4R Dopamine D4 receptor dopamine receptor 4 d(2C) dopamine receptor
Disease	Erectile dysfunction Psychotic disorders Schizophrenia
Length	467
Amino acid sequence	MGNRSTADADGLLAGRGPAAGASAGASAGLAGQGAAALVGGVLLIGAVLAGNSLVCVSVATERALQTPTNSFIVSLAAADLLLALLVLPLFVYSEVQGGAWLLSPRLCDALMAMDVMLCTASIFNLCAISVDRFVAVAVPLRYNRQGGSRRQLLLIGATWLLSAAVAAPVLCGLNDVRGRDPAVCRLEDRDYVVYSSVCSFFLPCPLMLLLYWATFRGLQRWEVARRAKLHGRAPRRPSGPGPPSPTPPAPRLPQDPCGPDCAPPAPGLPRGPCGPDCAPAAPGLPPDPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPRGPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPPDPCGSNCAPPDAVRAAALPPQTPPQTRRRRRAKITGRERKAMRVLPVVVGAFLLCWTPFFVVHITQALCPACSVPPRLVSAVTWLGYVNSALNPVIYTVFNAEFRNVFRKALRACC
UniProt	P21917
Protein Data Bank	5wiv, 5wiu
GPCR-HGmod model	P21917
3D structure model	This structure is from PDB ID 5wiv.
BioLiP	BL0394824, BL0394826, BL0394825
Therapeutic Target Database	T24983
ChEMBL	CHEMBL219
IUPHAR	217
DrugBank	BE0009376, BE0000389

Ligand

Name	Meclinertant
Molecular formula	C32H31ClN4O5
IUPAC name	2-[[1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid
Molecular weight	587.073
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	5.8
Synonyms	BDBM50248034 FT-0733910 MLS006010645 S-265 UNII-5JBP4SI96H 2-{[1-(7-Chloro-quinolin-4-yl)-5-(2,6-dimethoxy-phenyl)-1H-pyrazole-3-carbonyl]-amino}-adamantane-2-carboxylic acid CHEBI:125516 L001448 PDSP1_000642 SR 48692 2-((1-(7-Chloro-4-quinolinyl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl)carbonylamino)tricyclo(3.3.1.1.(3.7))decan-2-carboxylic acid AC1L3OCW BCP03645 D0G0TS Meclinertant [INN] Reminertant SR48692 2-[[1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid. BRD-K25075681-001-01-2 GTPL1582 MolPort-023-276-909 SCHEMBL1650932 X5495 2-(((1-(7-Chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)-1H-pyrazol-3-yl)carbonyl)amino)tricyclo(3.3.1.1(sup 3,7) )decane-2-carboxylic acid LS-184738 PDSP2_000637 SR 48692, >=98% (HPLC) 2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)-1H-pyrazole-3-carboxamido)adamantane-2-carboxylic acid AKOS024457771 BCP0726000168 DTXSID40163360 MLS-0437456.0001 RL01839 Tricyclo(3.3.1.13,7)decane-2-carboxylic acid, 2-(((1-(7-chloro-4-quinolinyl)-5-(2,6-dimethoxyphenyl)-1H-pyrazol-3-yl)carbonyl)amino)- 146362-70-1 2-[[[1-(7-Chloro-4-quinolinyl)-5-(2,6-dimethoxyphenyl)-1H-pyrazol-3-yl]carbonyl]amino]-tricyclo[3.3.1.13,7]decane-2-carboxylic acid C32H31ClN4O5 J-507678 NCGC00242503-01 SMR004701645 ZINC1482927 2-(((1-(7-Chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)-1H-pyrazol-3-yl)carbonyl)amino)tricyclo(3.3.1.1(sup 3,7))decane-2-carboxylic acid 5JBP4SI96H CHEMBL506981 QC-4586 SR-48692 2-[[1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid B7484 [ Show all ]
Inchi Key	DYLJVOXRWLXDIG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C32H31ClN4O5/c1-41-27-4-3-5-28(42-2)29(27)26-16-24(36-37(26)25-8-9-34-23-15-21(33)6-7-22(23)25)30(38)35-32(31(39)40)19-11-17-10-18(13-19)14-20(32)12-17/h3-9,15-20H,10-14H2,1-2H3,(H,35,38)(H,39,40)
PubChem CID	119192
ChEMBL	CHEMBL506981
IUPHAR	1582
BindingDB	50248034
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	http://www.jneurosci.org/content/25/7/1629.full.pdf+html	PDSP

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