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	CHEMBL48763
Molecular formula	C35H46N4O3S
IUPAC name	2-(3,5-dimethylphenyl)-N-ethyl-3-[2-[4-[4-(methanesulfonamido)phenyl]butylamino]ethyl]-N-propan-2-yl-1H-indole-5-carboxamide
Molecular weight	602.838
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	6.5
Synonyms	BDBM50101183 N-Isopropyl-N-ethyl-2-(3,5-dimethylphenyl)-3-[2-[4-[4-(methylsulfonylamino)phenyl]butylamino]ethyl]-1H-indole-5-carboxamide 2-(3,5-Dimethyl-phenyl)-3-{2-[4-(4-methanesulfonylamino-phenyl)-butylamino]-ethyl}-1H-indole-5-carboxylic acid ethyl-isopropyl-amide
Inchi Key	ATFRLQACYBGIPP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C35H46N4O3S/c1-7-39(24(2)3)35(40)28-13-16-33-32(23-28)31(34(37-33)29-21-25(4)20-26(5)22-29)17-19-36-18-9-8-10-27-11-14-30(15-12-27)38-43(6,41)42/h11-16,20-24,36-38H,7-10,17-19H2,1-6H3
PubChem CID	44293194
ChEMBL	CHEMBL48763
IUPHAR	N/A
BindingDB	50101183
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
13924	Gonadotropin-releasing hormone receptor	P30969	Gnrhr	Rattus norvegicus (Rat)	327

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