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	Bos taurus (Bovine)
Gene	DRD1
Synonym	Dopamine D1 receptor
Disease	N/A for non-human GPCRs
Length	446
Amino acid sequence	MRTLNTSTMEGTGLVAERDFSFRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPFGSFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFRYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTGPSEGNATSLGKTINNCDSSLSRTYAISSSLISFYIPVAIMIVTYTRIYRIAQKQIRRISALERAAVHAKNCQTTTGNGNPMECSQPESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFILNCMVPFCGSGETKPFCIDSITFDVFVWFGWANSSLNPIIYAFNADFRKAFSTLLGCYRLCPTTNNAIETVSINNNGAVVFSSHHEPRGSISKDCNVVYLIPHAVGSSEGLKKEEAVGIAKPLEKLSPALSVILDYDTDVSLEKIQPITQNGQHPT
UniProt	Q95136
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	CHEMBL2967
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL107529
Molecular formula	C19H21N3O
IUPAC name	5-[1-(1-benzylpiperidin-4-yl)pyrrol-3-yl]-1,3-oxazole
Molecular weight	307.397
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	2.7
Synonyms	1-Benzyl-4-(3-oxazol-5-yl-pyrrol-1-yl)-piperidine BDBM50082170 D03GES 1-Benzyl-4-[3-(5-oxazolyl)-1H-pyrrole-1-yl]piperidine
Inchi Key	ASGPPKHUWWRTLM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21N3O/c1-2-4-16(5-3-1)13-21-9-7-18(8-10-21)22-11-6-17(14-22)19-12-20-15-23-19/h1-6,11-12,14-15,18H,7-10,13H2
PubChem CID	9995378
ChEMBL	CHEMBL107529
IUPHAR	N/A
BindingDB	50082170
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	39000.0 nM	PMID10560741	BindingDB,ChEMBL

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