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	MK-5046
Molecular formula	C20H18F6N4O
IUPAC name	(2S)-1,1,1-trifluoro-2-(4-pyrazol-1-ylphenyl)-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol
Molecular weight	444.381
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	4.1
Synonyms	(2S)-1,1,1-trifluoro-2-(4-pyrazol-1-ylphenyl)-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol AKOS025293428 GTPL6170 MK5046 peak 2 1022152-69-7 BDBM50336889 KB-78904 ZINC66097879 CS-4808 MK5046 (2s)-1,1,1-trifluoro-2-[4-(1h-pyrazol-1-yl)phenyl]-3-(4-{[1-(trifluoromethyl)cyclopropyl]methyl}-1h-imidazol-2-yl)propan-2-ol AKOS032960467 HY-14342 NCGC00484084-01 1022152-70-0 MK 5046 D08RQW MK5046 Peak 1 (S)-2-(4-(1H-pyrazol-1-yl)phenyl)-1,1,1-trifluoro-3-(5-((1-(trifluoromethyl)cyclopropyl)methyl)-1H-imidazol-2-yl)propan-2-ol BCP23816 KB-333518 SCHEMBL3499662 1H-Imidazole-2-ethanol, a-[4-(1H-pyrazol-1-yl)phenyl]-a-(trifluoromethyl)-5-[[1-(trifluoromethyl)cyclopropyl]methyl]-, (aS)-;1H-Imidazole-2-ethanol, a-[4-(1H-pyrazol-1-yl)phenyl]-a-(trifluoromethyl)-5-[[1-(trifluoromethyl)cyclopropyl]methyl]-, (aS)- CHEMBL1672354 [ Show all ]
Inchi Key	UJINBEQCDMOAHM-SFHVURJKSA-N
Inchi ID	InChI=1S/C20H18F6N4O/c21-19(22,23)17(6-7-17)10-14-12-27-16(29-14)11-18(31,20(24,25)26)13-2-4-15(5-3-13)30-9-1-8-28-30/h1-5,8-9,12,31H,6-7,10-11H2,(H,27,29)/t18-/m0/s1
PubChem CID	49871766
ChEMBL	CHEMBL1672354
IUPHAR	6170
BindingDB	50336889
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
338192	Bombesin receptor subtype-3	O54798	Brs3	Mus musculus (Mouse)	399
338193	Bombesin receptor subtype-3	Q8K418	Brs3	Rattus norvegicus (Rat)	399
338194	Bombesin receptor subtype-3	P32247	BRS3	Homo sapiens (Human)	399
554960	Gastrin-releasing peptide receptor	P30550	GRPR	Homo sapiens (Human)	384
554959	Neuromedin-B receptor	P28336	NMBR	Homo sapiens (Human)	390

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