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	CHEMBL3680836
Molecular formula	C31H30FN3O3
IUPAC name	3-[[5-[2-[[4-(4-fluorophenyl)anilino]methyl]-5-propan-2-ylphenyl]pyridine-2-carbonyl]amino]propanoic acid
Molecular weight	511.597
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	5.9
Synonyms	US8748624, 158 BDBM123644 BVLJTJFMGNCIOA-UHFFFAOYSA-N SCHEMBL14054512 3-(5-(2-(((4'-fluoro-[1,1'-biphenyl]-4-yl)amino)methyl)-5-isopropylphenyl)picolinamido)propanoic acid
Inchi Key	BVLJTJFMGNCIOA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H30FN3O3/c1-20(2)23-3-4-24(18-34-27-12-7-22(8-13-27)21-5-10-26(32)11-6-21)28(17-23)25-9-14-29(35-19-25)31(38)33-16-15-30(36)37/h3-14,17,19-20,34H,15-16,18H2,1-2H3,(H,33,38)(H,36,37)
PubChem CID	71059930
ChEMBL	CHEMBL3680836
IUPHAR	N/A
BindingDB	123644
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
459515	Glucagon receptor	P47871	GCGR	Homo sapiens (Human)	477

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