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

NameCHEMBL122939
Molecular formulaC34H46N4O4S
IUPAC name(E)-5-amino-N-[(2R)-1-[[(2R)-1-[[(2S)-2-hydroxypropyl]amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]-methylamino]-1-oxo-3-(4-phenylcyclohexa-1,5-dien-1-yl)propan-2-yl]-N,5-dimethylhex-2-enamide
Molecular weight606.826
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.7
Synonyms(E)-5-Amino-5-methyl-hex-2-enoic acid [(R)-1-{[(R)-1-((S)-2-hydroxy-propylcarbamoyl)-2-thiophen-2-yl-ethyl]-methyl-carbamoyl}-2-(4-phenyl-cyclohexa-1,5-dienyl)-ethyl]-methyl-amide
BDBM50066825
Inchi KeyFFZBCSXBGQSMNS-YJBWETOPSA-N
Inchi IDInChI=1S/C34H46N4O4S/c1-24(39)23-36-32(41)29(22-28-13-10-20-43-28)38(5)33(42)30(37(4)31(40)14-9-19-34(2,3)35)21-25-15-17-27(18-16-25)26-11-7-6-8-12-26/h6-17,20,24,27,29-30,39H,18-19,21-23,35H2,1-5H3,(H,36,41)/b14-9+/t24-,27?,29+,30+/m0/s1
PubChem CID44347919
ChEMBLCHEMBL122939
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC501.5 nMPMID9733496ChEMBL
Emax110.0 %PMID9733496ChEMBL

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