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	diamide 7
Molecular formula	C22H22N2O3S
IUPAC name	N-[2-(2,6-dimethylanilino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2-hydroxybenzamide
Molecular weight	394.489
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	4.8
Synonyms	CHEMBL1770298 GTPL5830 BDBM50418334 D0G5DH N-[2-(2,6-dimethylanilino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2-hydroxybenzamide
Inchi Key	AHTURLVFIJHCLS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H22N2O3S/c1-13-7-6-8-14(2)19(13)23-22(27)20(18-12-11-15(3)28-18)24-21(26)16-9-4-5-10-17(16)25/h4-12,20,25H,1-3H3,(H,23,27)(H,24,26)
PubChem CID	53233899
ChEMBL	CHEMBL1770298
IUPHAR	5830
BindingDB	50418334
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
5875	C-X-C chemokine receptor type 2	P25025	CXCR2	Homo sapiens (Human)	360
5877	C5a anaphylatoxin chemotactic receptor 1	P21730	C5AR1	Homo sapiens (Human)	350
5876	fMet-Leu-Phe receptor	P21462	FPR1	Homo sapiens (Human)	350
5878	fMet-Leu-Phe receptor	P33766	Fpr1	Mus musculus (Mouse)	364
5879	N-formyl peptide receptor 2	P25090	FPR2	Homo sapiens (Human)	351

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