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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	LE 300
Molecular formula	C20H22N2
IUPAC name	11-methyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15,17,19-heptaene
Molecular weight	290.41
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	4.3
Synonyms	6,7,8,9,14,15-Hexahydro-7-methyl-5H-indolo[3,2-f][3]benzazecine API0008482 HMS3268M15 Lopac0_000699 NCGC00015614-05 SR-01000075963 7-Methyl-6,7,8,9,14,15-hexahydro-5H-indolo[3,2-f][3]-benzazecine BN0302 D07YLK L 8401 MolPort-003-958-572 NCGC00025255-03 Tocris-1674 3-Methyl-1,2,3,4,5,8-hexahydro-(14,15-[1,4]butanediylidene-(7,6-(iminoethano)-3-benzoazecine))-17-ene ACM274694983 CCG-204784 HMS2233O19 LE-300 NCGC00015614-03 SCHEMBL12610513 7-methyl-6,7,8,9,14,15-hexahydro-5H-benzo[7,8]azecino[5,4-b]indole(LE 300) B6824 CHEMBL441618 HMS3372E16 LP00699 NCGC00025255-01 SR-01000075963-1 11-methyl-11,21-diazatetracyclo[12.7.0.0^{3,8}.0^{15,20}]henicosa-1(14),3(8),4,6,15,17,19-heptaene 7-methyl-6,7,8,9,14,15-hexahydro-5H-indolo[3,2-f][3]benzazecine BRD-K01648091-001-01-8 DTXSID20402244 NCGC00015614-01 NCGC00261384-01 Tox21_500699 AKOS024456742 CHEBI:92030 HMS3262K19 Lopac-L-8401 NCGC00015614-04 SMR001230741 7-Methyl-6,7,8,9,14,15-hexahydro-5H-benz[d]indolo[2,3-g]azecine BDBM50088341 CTK8E8452 J-016773 MLS002153328 NCGC00025255-02 SR-01000075963-3 274694-98-3 AC1N8VWD BRD-K01648091-001-04-2 EU-0100699 LE 300, solid NCGC00015614-02 RT-013566 ZINC1486281 [ Show all ]
Inchi Key	YEWGIGCYIAMFMA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-20-18(11-13-22)17-8-4-5-9-19(17)21-20/h2-9,21H,10-14H2,1H3
PubChem CID	4350931
ChEMBL	CHEMBL441618
IUPHAR	N/A
BindingDB	50088341
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	108.0 nM	PMID17034146, MedChemComm, (2015) 6:9:1679	BindingDB,ChEMBL

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