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(1B) dopamine receptor
Species	Homo sapiens (Human)
Gene	DRD5
Synonym	Gpcr1 DRD1L2 DRD1B dopamine receptor 5 Dopamine D5 receptor D5 receptor D1beta dopamine receptor D(5) dopamine receptor D(1B) dopamine receptor [ Show all ]
Disease	Solid tumours Schizophrenia
Length	477
Amino acid sequence	MLPPGSNGTAYPGQFALYQQLAQGNAVGGSAGAPPLGPSQVVTACLLTLLIIWTLLGNVLVCAAIVRSRHLRANMTNVFIVSLAVSDLFVALLVMPWKAVAEVAGYWPFGAFCDVWVAFDIMCSTASILNLCVISVDRYWAISRPFRYKRKMTQRMALVMVGLAWTLSILISFIPVQLNWHRDQAASWGGLDLPNNLANWTPWEEDFWEPDVNAENCDSSLNRTYAISSSLISFYIPVAIMIVTYTRIYRIAQVQIRRISSLERAAEHAQSCRSSAACAPDTSLRASIKKETKVLKTLSVIMGVFVCCWLPFFILNCMVPFCSGHPEGPPAGFPCVSETTFDVFVWFGWANSSLNPVIYAFNADFQKVFAQLLGCSHFCSRTPVETVNISNELISYNQDIVFHKEIAAAYIHMMPNAVTPGNREVDNDEEEGPFDRMFQIYQTSPDGDPVAESVWELDCEGEISLDKITPFTPNGFH
UniProt	P21918
Protein Data Bank	N/A
GPCR-HGmod model	P21918
3D structure model	This predicted structure model is from GPCR-EXP P21918.
BioLiP	N/A
Therapeutic Target Database	T46828
ChEMBL	CHEMBL1850
IUPHAR	218
DrugBank	BE0000145, BE0004889

Ligand

Name	MLS000084541
Molecular formula	C13H15N9OS
IUPAC name	2-N-(4-methoxyphenyl)-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
Molecular weight	345.385
Hydrogen bond acceptor	10
Hydrogen bond donor	2
XlogP	1.5
Synonyms	AC1LDFGU HMS2378J18 N2-(4-methoxyphenyl)-6-[[(1-methyl-5-tetrazolyl)thio]methyl]-1,3,5-triazine-2,4-diamine {4-amino-6-[(1-methyl(1,2,3,4-tetraazol-5-ylthio))methyl](1,3,5-triazin-2-yl)} (4-methoxyphenyl)amine BDBM48929 MolPort-000-401-188 STK508562 cid_666200 N-(4-methoxyphenyl)-6-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine ZINC9361324 AKOS002206350 MCULE-5773133254 SMR000047601 (6Z)-6-[(4-methoxyphenyl)imino]-4-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-1,6-dihydro-1,3,5-triazin-2-amine MolPort-000-791-650 STK853120 810632-94-1 HMS1595D09 N2-(4-methoxyphenyl)-6-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine [4-amino-6-[[(1-methyltetrazol-5-yl)thio]methyl]-s-triazin-2-yl]-(4-methoxyphenyl)amine AKOS005630249 ST50133154 2-N-(4-methoxyphenyl)-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine CHEMBL1510369 N-(4-amino-6-{[(1-methyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]methyl}-1,3,5-triazin-2-yl)-N-(4-methoxyphenyl)amine ZINC02209843 [ Show all ]
Inchi Key	BMCWMYPABJUJAZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H15N9OS/c1-22-13(19-20-21-22)24-7-10-16-11(14)18-12(17-10)15-8-3-5-9(23-2)6-4-8/h3-6H,7H2,1-2H3,(H3,14,15,16,17,18)
PubChem CID	666200
ChEMBL	CHEMBL1510369
IUPHAR	N/A
BindingDB	48929
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	0.000516 nM	N/A	BindingDB

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