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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	D(3) dopamine receptor
Species	Homo sapiens (Human)
Gene	DRD3
Synonym	dopaminergic receptor D3 D3R D3 receptor dopamine D3 receptor
Disease	Unspecified Emesis; Gastric motility disorder Female sexual dysfunction Male sexual disorders Psychotic disorders Cocaine addiction Schizophrenia Drug abuse [ Show all ]
Length	400
Amino acid sequence	MASLSQLSSHLNYTCGAENSTGASQARPHAYYALSYCALILAIVFGNGLVCMAVLKERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASILNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTTGDPTVCSISNPDFVIYSSVVSFYLPFGVTVLVYARIYVVLKQRRRKRILTRQNSQCNSVRPGFPQQTLSPDPAHLELKRYYSICQDTALGGPGFQERGGELKREEKTRNSLSPTIAPKLSLEVRKLSNGRLSTSLKLGPLQPRGVPLREKKATQMVAIVLGAFIVCWLPFFLTHVLNTHCQTCHVSPELYSATTWLGYVNSALNPVIYTTFNIEFRKAFLKILSC
UniProt	P35462
Protein Data Bank	3pbl
GPCR-HGmod model	P35462
3D structure model	This structure is from PDB ID 3pbl.
BioLiP	BL0191566, BL0191567
Therapeutic Target Database	T02551
ChEMBL	CHEMBL234
IUPHAR	216
DrugBank	BE0000581

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	B6824 CHEMBL441618 HMS3372E16 LP00699 NCGC00025255-01 SR-01000075963-1 7-methyl-6,7,8,9,14,15-hexahydro-5H-benzo[7,8]azecino[5,4-b]indole(LE 300) 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 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 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 AC1N8VWD BRD-K01648091-001-04-2 EU-0100699 LE 300, solid NCGC00015614-02 RT-013566 ZINC1486281 274694-98-3 API0008482 HMS3268M15 Lopac0_000699 NCGC00015614-05 SR-01000075963 6,7,8,9,14,15-Hexahydro-7-methyl-5H-indolo[3,2-f][3]benzazecine 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 ACM274694983 CCG-204784 HMS2233O19 LE-300 NCGC00015614-03 SCHEMBL12610513 3-Methyl-1,2,3,4,5,8-hexahydro-(14,15-[1,4]butanediylidene-(7,6-(iminoethano)-3-benzoazecine))-17-ene [ 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	25.9 nM	PMID17034146, MedChemComm, (2015) 6:9:1679	BindingDB,ChEMBL
Ki	40.3 nM	PMID17188870	BindingDB,ChEMBL

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