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	Mus musculus (Mouse)
Gene	Drd1
Synonym	D1 receptor D1A DADR Dopamine D1 receptor Dopamine-1A receptor Gpcr15 [ Show all ]
Disease	N/A for non-human GPCRs
Length	446
Amino acid sequence	MAPNTSTMDETGLPVERDFSFRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPFGSFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFQYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTWPLDGNFTSLEDAEDDNCDTRLSRTYAISSSLISFYIPVAIMIVTYTSIYRIAQKQIRRISALERAAVHAKNCQTTTGNGNPVECSQSESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFISNCMVPFCGSEETQPFCIDSITFDVFVWFGWANSSLNPIIYAFNADFQKAFSTLLGCYRLCPTTNNAIETVSINNNGAVMFSSHHEPRGSISKDCNLVYLIPHAVGSSEDLKREEAGGIPKPLEKLSPALSVILDYDTDVSLEKIQPVTHSGQHST
UniProt	Q61616
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	CHEMBL3071
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL104985
Molecular formula	C14H18ClN3O
IUPAC name	5-chloro-7-methyl-2-(4-methyl-1,4-diazepan-1-yl)-1,3-benzoxazole
Molecular weight	279.768
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.4
Synonyms	SCHEMBL2743725 5-Chloro-7-methyl-2-(4-methyl-[1,4]diazepan-1-yl)-benzooxazole 2-(4-Methylhexahydro-1H-1,4-diazepine-1-yl)-5-chloro-7-methylbenzoxazole BDBM50066000 HUKVXBOLNLWFQV-UHFFFAOYSA-N 5-chloro-7-methyl-2-(4-methyl-1-homopiperazinyl)benzoxazole [ Show all ]
Inchi Key	HUKVXBOLNLWFQV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H18ClN3O/c1-10-8-11(15)9-12-13(10)19-14(16-12)18-5-3-4-17(2)6-7-18/h8-9H,3-7H2,1-2H3
PubChem CID	9795675
ChEMBL	CHEMBL104985
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	18.0 %	PMID9685241	ChEMBL

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