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	RS-102221
Molecular formula	C27H31F3N4O7S
IUPAC name	N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]-4-(trifluoromethyl)benzenesulfonamide
Molecular weight	612.621
Hydrogen bond acceptor	12
Hydrogen bond donor	3
XlogP	2.7
Synonyms	BCP03496 D0U9HE N-{5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]dec-8-yl)pentanoyl] -2,4-dimethoxyphenyl}-4-(trifluoromethyl)benzenesulfonamide RS102221 BPBio1_000243 L000523 PDSP1_001633 Tocris-1050 N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]-4-(trifluoromethyl)benzenesulfonamide RS-102,221 BDBM85098 GTPL187 NCGC00024967-01 RS102221 HCl 185376-97-0 BRD-K87048468-003-01-9 N-[5-[5-(1,3-dioxo-2,4,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]-4-(trifluoromethyl)benzenesulfonamide PDSP2_001617 ZINC26580328 AC1MW45U CHEMBL88402 N-{5-[5-(2,4-dioxo -1,3,8-triazaspiro[4.5]dec-8-yl)pentanoyl]-2,4-dimethoxyphenyl}-4-trifluoromethylbenzenesulfonamide Biomol-NT_000133 HZZZZODVDSHQRG-UHFFFAOYSA-N NCGC00024967-02 SCHEMBL7107338 CHEBI:93519 N-[5-[5-(2,4-Dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxopentyl]-2,4-dimethoxyphenyl]-4-(trifluoromethyl)benzenesulfonamide RS 102221 HCl [ Show all ]
Inchi Key	HZZZZODVDSHQRG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H31F3N4O7S/c1-40-22-16-23(41-2)20(33-42(38,39)18-8-6-17(7-9-18)27(28,29)30)15-19(22)21(35)5-3-4-12-34-13-10-26(11-14-34)24(36)31-25(37)32-26/h6-9,15-16,33H,3-5,10-14H2,1-2H3,(H2,31,32,36,37)
PubChem CID	3693566
ChEMBL	CHEMBL88402
IUPHAR	187
BindingDB	85098
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

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
128202	5-hydroxytryptamine receptor 1A	P19327	Htr1a	Rattus norvegicus (Rat)	422
128193	5-hydroxytryptamine receptor 2A	P28223	HTR2A	Homo sapiens (Human)	471
553929	5-hydroxytryptamine receptor 2A	P14842	Htr2a	Rattus norvegicus (Rat)	471
128196	5-hydroxytryptamine receptor 2B	P41595	HTR2B	Homo sapiens (Human)	481
128191	5-hydroxytryptamine receptor 2C	P28335	HTR2C	Homo sapiens (Human)	458
128199	5-hydroxytryptamine receptor 2C	P08909	Htr2c	Rattus norvegicus (Rat)	460
128200	5-hydroxytryptamine receptor 2C	P34968	Htr2c	Mus musculus (Mouse)	459
555991	5-hydroxytryptamine receptor 7	P50407	HTR7	Cavia porcellus (Guinea pig)	446
128194	Alpha-1B adrenergic receptor	P15823	Adra1b	Rattus norvegicus (Rat)	515
128192	Alpha-2B adrenergic receptor	P19328	Adra2b	Rattus norvegicus (Rat)	453
460404	Beta-2 adrenergic receptor	P10608	Adrb2	Rattus norvegicus (Rat)	418
128198	Kappa-type opioid receptor	P41144	OPRK1	Cavia porcellus (Guinea pig)	380
128203	Mu-type opioid receptor	P97266	OPRM1	Cavia porcellus (Guinea pig)	98
128197	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460
128204	Muscarinic acetylcholine receptor M2	P10980	Chrm2	Rattus norvegicus (Rat)	466
128201	Muscarinic acetylcholine receptor M3	P08483	Chrm3	Rattus norvegicus (Rat)	589
460403	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407

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