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	CHEMBL287676
Molecular formula	C28H35N5O5
IUPAC name	3-[[(2R)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[(3-methylphenyl)carbamoylamino]pentanoyl]amino]propanoyl]amino]propanoic acid
Molecular weight	521.618
Hydrogen bond acceptor	5
Hydrogen bond donor	6
XlogP	3.3
Synonyms	BDBM50284700 3-{(S)-3-(1H-Indol-3-yl)-2-[(S)-4-methyl-2-(3-m-tolyl-ureido)-pentanoylamino]-propionylamino}-propionic acid
Inchi Key	DTSNLCNXOUHPFT-BJKOFHAPSA-N
Inchi ID	InChI=1S/C28H35N5O5/c1-17(2)13-23(33-28(38)31-20-8-6-7-18(3)14-20)27(37)32-24(26(36)29-12-11-25(34)35)15-19-16-30-22-10-5-4-9-21(19)22/h4-10,14,16-17,23-24,30H,11-13,15H2,1-3H3,(H,29,36)(H,32,37)(H,34,35)(H2,31,33,38)/t23-,24+/m0/s1
PubChem CID	44279308
ChEMBL	CHEMBL287676
IUPHAR	N/A
BindingDB	50284700
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. 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
68651	Endothelin-1 receptor	Q29010	EDNRA	Sus scrofa (Pig)	427

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