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	Ro 04-6790
Molecular formula	C12H16N6O2S
IUPAC name	4-amino-N-[2,6-bis(methylamino)pyrimidin-4-yl]benzenesulfonamide
Molecular weight	308.36
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	1.7
Synonyms	AC1NSM3L CCG-205122 JELFWSXQTXRMAJ-UHFFFAOYSA-N NCGC00015885-01 4-amino-N-(2,6-bis(methylamino)pyrimidin-4-yl)benzenesulfonamide 4-Amino-N-(2-methylamino-pyrimidin-4-yl)-benzenesulfonamide BCP02244 CHEMBL433461 Lopac-R-140 NCGC00015885-04 Ro-046790 4-amino-N-[2,6-bis(methylamino)pyrimidin-4-yl]benzenesulfonamide BPBio1_000551 FT-0748141 MolPort-023-276-598 PDSP1_001376 SCHEMBL678897 202466-68-0 4-Amino-N-(2,6-bis-dimethylamino-pyrimidin-4-yl)-benzenesulfonamide AKOS024457330 CHEBI:92762 KB-80392 NCGC00015885-02 Ro 4-6790 4-Amino-N-[2,6-bis(methylamino)-4-pyrimidinyl]-benzenesulfonamide BDBM50090528 CTK8E8508 Lopac0_001045 NCGC00162326-01 Ro04-6790 (4-amino-N-[2,6-bis(methylamino)-4-pyrimidinyl]-benzenesulfonamide) BRD-K43290182-001-01-9 GTPL274 N-(2,6-bis(methylamino)pyrimidin-4-yl)-4-aminobenzenesulfonamide PDSP2_001360 ZINC23472 4-Amino-N-(2,6-bis-methylamino-pyrimidin-4-yl)-benzenesulfonamide B7216 L000511 NCGC00015885-03 Ro-04-6790 4-Amino-N-[2,6-bis(methylamino)-4-pyrimidinyl]benzenesulfonamide Dihydrobromide Biomol-NT_000164 D0P8JA MFCD11045584 NCGC00162326-02 RT-015415 [ Show all ]
Inchi Key	JELFWSXQTXRMAJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H16N6O2S/c1-14-10-7-11(17-12(15-2)16-10)18-21(19,20)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H3,14,15,16,17,18)
PubChem CID	5312145
ChEMBL	CHEMBL433461
IUPHAR	274
BindingDB	50090528
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
148959	5-hydroxytryptamine receptor 1D	P28221	HTR1D	Homo sapiens (Human)	377
148957	5-hydroxytryptamine receptor 2A	P28223	HTR2A	Homo sapiens (Human)	471
148956	5-hydroxytryptamine receptor 2C	P28335	HTR2C	Homo sapiens (Human)	458
148958	5-hydroxytryptamine receptor 6	P50406	HTR6	Homo sapiens (Human)	440
148961	5-hydroxytryptamine receptor 6	P31388	Htr6	Rattus norvegicus (Rat)	436
148963	5-hydroxytryptamine receptor 6	Q9R1C8	Htr6	Mus musculus (Mouse)	440
148960	5-hydroxytryptamine receptor 7	P34969	HTR7	Homo sapiens (Human)	479
148962	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460

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