Zhang Lab

University of Michigan

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 ●DMFold ●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	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	UNII-NGJ1K8EOK1
Molecular formula	C21H26N4
IUPAC name	(6S)-2-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]-1,4,5,6-tetrahydropyrimidine
Molecular weight	334.467
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.9
Synonyms	(4S)-2-Phenyl-4alpha-(4-phenylpiperazinomethyl)-1,4,5,6-tetrahydropyrimidine NGJ1K8EOK1 562104-72-7 (+)-(6S)-3,4,5,6-Tetrahydro-2-phenyl-6-((4-phenyl-1-piperazinyl)methyl)pyrimidine CHEMBL169459 (S)-2-Phenyl-4-(4-phenyl-piperazin-1-ylmethyl)-1,4,5,6-tetrahydro-pyrimidine Pyrimidine, 1,4,5,6-tetrahydro-2-phenyl-4-((4-phenyl-1-piperazinyl)methyl)-, (4S)- BDBM50124193 (+)-Fauc-312 FAUC-312 Pyrimidine, 3,4,5,6-tetrahydro-2-phenyl-4-((4-phenyl-1-piperazinyl)methyl)-, (4S)- [ Show all ]
Inchi Key	BJWYIHWMKMZYRS-IBGZPJMESA-N
Inchi ID	InChI=1S/C21H26N4/c1-3-7-18(8-4-1)21-22-12-11-19(23-21)17-24-13-15-25(16-14-24)20-9-5-2-6-10-20/h1-10,19H,11-17H2,(H,22,23)/t19-/m0/s1
PubChem CID	10359539
ChEMBL	CHEMBL169459
IUPHAR	N/A
BindingDB	50124193
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	310.0 nM	PMID12617906	BindingDB,ChEMBL

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218