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 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

NameMelatonin receptor type 1C
SpeciesXenopus laevis (African clawed frog)
Genemtnr1c
SynonymMel-1C-R
Mel1c (alpha) receptor
Mel1c receptor
DiseaseN/A for non-human GPCRs
Length420
Amino acid sequenceMMEVNSTCLDCRTPGTIRTEQDAQDSASQGLTSALAVVLIFTIVVDVLGNILVILSVLRNKKLQNAGNLFVVSLSIADLVVAVYPYPVILIAIFQNGWTLGNIHCQISGFLMGLSVIGSVFNITAIAINRYCYICHSLRYDKLYNQRSTWCYLGLTWILTIIAIVPNFFVGSLQYDPRIFSCTFAQTVSSSYTITVVVVHFIVPLSVVTFCYLRIWVLVIQVKHRVRQDFKQKLTQTDLRNFLTMFVVFVLFAVCWAPLNFIGLAVAINPFHVAPKIPEWLFVLSYFMAYFNSCLNAVIYGVLNQNFRKEYKRILMSLLTPRLLFLDTSRGGTEGLKSKPSPAVTNNNQADMLGEARSLWLSRRNGAKMVIIIRPRKAQIAIIHQIFWPQSSWATCRQDTKITGEEDGCRELCKDGISQR
UniProtP49219
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5495
IUPHARN/A
DrugBankN/A

Ligand

NameMelatonin
Molecular formulaC13H16N2O2
IUPAC nameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
Molecular weight232.283
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP0.8
SynonymsN-[2-(5-Methoxy-1H-indol-3-yl)-ethyl]-acetamide
Spectrum_000185
NCGC00015680-02
STK386880
NCGC00015680-10
[ Show all ]
Inchi KeyDRLFMBDRBRZALE-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
PubChem CID896
ChEMBLCHEMBL45
IUPHAR1357, 224
BindingDB9019
DrugBankDB01065

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
EC500.07943 nMPMID17459711ChEMBL
EC500.08511 nMPMID17346859ChEMBL
Ki1.86 nMPMID9840420BindingDB
Ki1.87 nMPMID9618903BindingDB

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