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:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	Endothelin-1 receptor
Species	Sus scrofa (Pig)
Gene	EDNRA
Synonym	Endothelin receptor type A {ECO:0000250\|UniProtKB:P25101} ET-A ET-AR
Disease	N/A for non-human GPCRs
Length	427
Amino acid sequence	METFCFRVSFWVALLGCVISDNPESHSTNLSTHVDDFTTFRGTEFSLVVTTHRPTNLALPSNGSMHNYCPQQTKITSAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFENHDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLVTAIEIVSIWILSFILAIPEAIGFVMVPFEYKGEEHKTCMLNATSKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYDEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCYQSKSLMTSVPMNGTSIQWKNHEQNNHNTERSSHKDSIN
UniProt	Q29010
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4130
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL281963
Molecular formula	C26H36N4O7
IUPAC name	(2R)-2-[[(2R)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-(3-methylbutanoylamino)pentanoyl]amino]propanoyl]amino]butanedioic acid
Molecular weight	516.595
Hydrogen bond acceptor	7
Hydrogen bond donor	6
XlogP	1.9
Synonyms	BDBM50284699 CTK0B6816 141594-22-1 D-Aspartic acid, N-[N-[N-(3-methyl-1-oxobutyl)-L-leucyl]-D-tryptophyl]- AKOS030607987 2-{3-(1H-Indol-3-yl)-2-[4-methyl-2-(3-methyl-butyrylamino)-pentanoylamino]-propionylamino}-succinic acid [ Show all ]
Inchi Key	BGAFRSMYVYPPOT-PWRODBHTSA-N
Inchi ID	InChI=1S/C26H36N4O7/c1-14(2)9-19(28-22(31)10-15(3)4)24(34)29-20(25(35)30-21(26(36)37)12-23(32)33)11-16-13-27-18-8-6-5-7-17(16)18/h5-8,13-15,19-21,27H,9-12H2,1-4H3,(H,28,31)(H,29,34)(H,30,35)(H,32,33)(H,36,37)/t19-,20+,21+/m0/s1
PubChem CID	44279479
ChEMBL	CHEMBL281963
IUPHAR	N/A
BindingDB	50284699
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.

Experimental Data

Parameter	Value	Reference	Database source
IC50	25000.0 nM	Bioorg. Med. Chem. Lett., (1995) 5:13:1395,	BindingDB,ChEMBL

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