Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	D(4) dopamine receptor
Species	Mus musculus (Mouse)
Gene	Drd4
Synonym	d(2C) dopamine receptor D4 receptor D4R Dopamine D4 receptor dopamine receptor 4
Disease	N/A for non-human GPCRs
Length	387
Amino acid sequence	MGNSSATEDGGLLAGRGPESLGTGAGLGGAGAAALVGGVLLIGLVLAGNSLVCVSVASERTLQTPTNYFIVSLAAADLLLAVLVLPLFVYSEVQGGVWLLSPRLCDTLMAMDVMLCTASIFNLCAISVDRFVAVTVPLRYNQQGQCQLLLIAATWLLSAAVASPVVCGLNDVPGRDPAVCCLENRDYVVYSSVCSFFLPCPLMLLLYWATFRGLRRWEAARHTKLHSRAPRRPSGPGPPVSDPTQGPFFPDCPPPLPSLRTSPSDSSRPESELSQRPCSPGCLLADAALPQPPEPSSRRRRGAKITGRERKAMRVLPVVVGAFLVCWTPFFVVHITRALCPACFVSPRLVSAVTWLGYVNSALNPIIYTIFNAEFRSVFRKTLRLRC
UniProt	P51436
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2574
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	SCHEMBL14060375
Molecular formula	C21H23ClN2O3
IUPAC name	2-[(2R)-2-[(3-chlorophenoxy)methyl]morpholin-4-yl]-1-(2,3-dihydroindol-1-yl)ethanone
Molecular weight	386.876
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.4
Synonyms	US9079895, 22r BDBM186932
Inchi Key	APCQYPHUPXTFSO-LJQANCHMSA-N
Inchi ID	InChI=1S/C21H23ClN2O3/c22-17-5-3-6-18(12-17)27-15-19-13-23(10-11-26-19)14-21(25)24-9-8-16-4-1-2-7-20(16)24/h1-7,12,19H,8-11,13-15H2/t19-/m1/s1
PubChem CID	71061785
ChEMBL	N/A
IUPHAR	N/A
BindingDB	186932
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	536.0 nM	N/A	BindingDB

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417