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	CHEMBL287141
Molecular formula	C26H38N4O5
IUPAC name	3-[[(2R)-2-[[(2S)-2-(3,3-dimethylbutanoylamino)-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoic acid
Molecular weight	486.613
Hydrogen bond acceptor	5
Hydrogen bond donor	5
XlogP	2.7
Synonyms	3-[(S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-4-methyl-pentanoylamino]-3-(1H-indol-3-yl)-propionylamino]-propionic acid BDBM50284694
Inchi Key	FPBJOZMOCINLDR-LEWJYISDSA-N
Inchi ID	InChI=1S/C26H38N4O5/c1-16(2)12-20(29-22(31)14-26(3,4)5)25(35)30-21(24(34)27-11-10-23(32)33)13-17-15-28-19-9-7-6-8-18(17)19/h6-9,15-16,20-21,28H,10-14H2,1-5H3,(H,27,34)(H,29,31)(H,30,35)(H,32,33)/t20-,21+/m0/s1
PubChem CID	44279251
ChEMBL	CHEMBL287141
IUPHAR	N/A
BindingDB	50284694
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
83823	Endothelin-1 receptor	Q29010	EDNRA	Sus scrofa (Pig)	427

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