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	CHEMBL208081
Molecular formula	C29H29F2N3O3S
IUPAC name	4-[4-(3-cyanophenyl)phenyl]-N-(3,4-difluorophenyl)-4-(1-methylsulfonylpiperidin-4-yl)butanamide
Molecular weight	537.626
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.7
Synonyms	BDBM50186781 4-(3''-cyano-biphenyl-4-yl)-N-(3,4-difluoro-phenyl)-4-(1-methanesulfonyl-piperidin-4-yl)-butyramide
Inchi Key	HHXVOPHNZVITID-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H29F2N3O3S/c1-38(36,37)34-15-13-23(14-16-34)26(10-12-29(35)33-25-9-11-27(30)28(31)18-25)22-7-5-21(6-8-22)24-4-2-3-20(17-24)19-32/h2-9,11,17-18,23,26H,10,12-16H2,1H3,(H,33,35)
PubChem CID	44412837
ChEMBL	CHEMBL208081
IUPHAR	N/A
BindingDB	50186781
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
115382	Melanin-concentrating hormone receptor 1	Q99705	MCHR1	Homo sapiens (Human)	422
115381	Melanin-concentrating hormone receptor 2	Q969V1	MCHR2	Homo sapiens (Human)	340

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