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:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	7-(4-bromophenyl)-8-(4-hydroxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Molecular formula	C21H16BrN5O3
IUPAC name	7-(4-bromophenyl)-6-(4-hydroxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
Molecular weight	466.295
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.1
Synonyms	7-(4-bromophenyl)-6-(4-hydroxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione MCULE-5416313310 AC1LKN2V Oprea1_164311 CHEMBL1315398 STK696220 MolPort-002-714-985 AKOS005527006 SR-01000539061 HMS1807P12 ZINC720566 A2814/0118975 NCGC00102480-01 SR-01000539061-1 [ Show all ]
Inchi Key	AJWXFHKLJUEOLO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H16BrN5O3/c1-24-18-17(19(29)25(2)21(24)30)26-11-16(12-3-5-13(22)6-4-12)27(20(26)23-18)14-7-9-15(28)10-8-14/h3-11,28H,1-2H3
PubChem CID	1046209
ChEMBL	CHEMBL1315398
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
7301	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757

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