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

You can:

GPCR

NameGrowth hormone secretagogue receptor type 1
SpeciesRattus norvegicus (Rat)
GeneGhsr
SynonymGH-releasing peptide receptor
Ghrelin receptor
ghrelin receptor 1a
GHRP
GHS-R
[ Show all ]
DiseaseN/A for non-human GPCRs
Length364
Amino acid sequenceMWNATPSEEPEPNVTLDLDWDASPGNDSLPDELLPLFPAPLLAGVTATCVALFVVGISGNLLTMLVVSRFRELRTTTNLYLSSMAFSDLLIFLCMPLDLVRLWQYRPWNFGDLLCKLFQFVSESCTYATVLTITALSVERYFAICFPLRAKVVVTKGRVKLVILVIWAVAFCSAGPIFVLVGVEHENGTDPRDTNECRATEFAVRSGLLTVMVWVSSVFFFLPVFCLTVLYSLIGRKLWRRRGDAAVGASLRDQNHKQTVKMLAVVVFAFILCWLPFHVGRYLFSKSFEPGSLEIAQISQYCNLVSFVLFYLSAAINPILYNIMSKKYRVAVFKLLGFESFSQRKLSTLKDESSRAWTKSSINT
UniProtO08725
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3278
IUPHAR246
DrugBankN/A

Ligand

NameCHEMBL330860
Molecular formulaC33H42N4O3
IUPAC name(E)-5-amino-N-[(2R)-1-[[(2R)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,5-dimethylhex-2-enamide
Molecular weight542.724
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.6
SynonymsBDBM50066810
N-(5-Amino-5-methyl-2-hexenoyl)-N-methyl-3-(2-naphthyl)-D-Ala-N-methyl-D-Phe-NHEt
(E)-5-Amino-5-methyl-hex-2-enoic acid {(R)-1-[((R)-1-ethylcarbamoyl-2-phenyl-ethyl)-methyl-carbamoyl]-2-naphthalen-2-yl-ethyl}-methyl-amide
Inchi KeyKYGISGLSSAUUOY-XGWWGWHESA-N
Inchi IDInChI=1S/C33H42N4O3/c1-6-35-31(39)28(22-24-13-8-7-9-14-24)37(5)32(40)29(36(4)30(38)17-12-20-33(2,3)34)23-25-18-19-26-15-10-11-16-27(26)21-25/h7-19,21,28-29H,6,20,22-23,34H2,1-5H3,(H,35,39)/b17-12+/t28-,29-/m1/s1
PubChem CID10602593
ChEMBLCHEMBL330860
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC5013.0 nMPMID9733496ChEMBL
Emax105.0 %PMID9733496ChEMBL

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