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(1A) dopamine receptor
Species	Sus scrofa (Pig)
Gene	DRD1
Synonym	Dopamine D1 receptor
Disease	N/A for non-human GPCRs
Length	446
Amino acid sequence	MRTLNTSTMDGTGLVVERDFSFRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPFGSFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFRYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTSPSDGNVTSLGKTTHNCDSSLSRTYAISSSLISFYIPVAIMIVTYTRIYRIAQKQIRRISALERAAVHAKNCQTTAGNGNPAECSQPESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFILNCMVPFCGSGETKPFCIDSITFDVFVWFGWANSSLNPIIYAFNADFRKAFSTLLGCYRLCPTSTNAIETVSINNNGAVVFSSHHEPRGSISKDCNLVYLIPHAVGSSEDLKKEEAGGIASPLEKLSPALSVILDYDTDVSLEKIQPITQNGQHPT
UniProt	P50130
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	CHEMBL5067
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL405292
Molecular formula	C17H18FN5
IUPAC name	2-[[4-(6-fluoropyridin-2-yl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
Molecular weight	311.364
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	2.2
Synonyms	BDBM50373498
Inchi Key	CECDNRUCUZFOLS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H18FN5/c18-16-5-3-6-17(19-16)22-10-8-21(9-11-22)13-14-12-15-4-1-2-7-23(15)20-14/h1-7,12H,8-11,13H2
PubChem CID	24824060
ChEMBL	CHEMBL405292
IUPHAR	N/A
BindingDB	50373498
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	30000.0 nM	PMID18307287	BindingDB,ChEMBL

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