Zhang Lab

University of Michigan

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 ●DMFold ●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	CHEMBL93868
Molecular formula	C18H20N2O2S
IUPAC name	2-[1-(benzenesulfonyl)indol-3-yl]-N,N-dimethylethanamine
Molecular weight	328.43
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.5
Synonyms	PDSP2_000373 N,N-dimethyl-2-(1-(phenylsulfonyl)-1H-indol-3-yl)ethanamine SCHEMBL3322247 PDSP1_000375 BDBM50106250 [2-(1-Benzenesulfonyl-1H-indol-3-yl)-ethyl]-dimethyl-amine N,N-Dimethyl-1-(phenylsulfonyl)-1H-indole-3-ethanamine [ Show all ]
Inchi Key	NKLZWGMWROXIDH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H20N2O2S/c1-19(2)13-12-15-14-20(18-11-7-6-10-17(15)18)23(21,22)16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3
PubChem CID	9927441
ChEMBL	CHEMBL93868
IUPHAR	N/A
BindingDB	50106250
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
225633	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
225627	5-hydroxytryptamine receptor 1B	P28222	HTR1B	Homo sapiens (Human)	390
225634	5-hydroxytryptamine receptor 1D	P28221	HTR1D	Homo sapiens (Human)	377
225630	5-hydroxytryptamine receptor 1F	P30939	HTR1F	Homo sapiens (Human)	366
225629	5-hydroxytryptamine receptor 2A	P14842	Htr2a	Rattus norvegicus (Rat)	471
225632	5-hydroxytryptamine receptor 5A	P35364	Htr5a	Rattus norvegicus (Rat)	357
225624	5-hydroxytryptamine receptor 6	P50406	HTR6	Homo sapiens (Human)	440
225625	5-hydroxytryptamine receptor 7	P34969	HTR7	Homo sapiens (Human)	479
225628	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
225631	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400
225626	D(4) dopamine receptor	P21917	DRD4	Homo sapiens (Human)	467

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218