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

NameMelatonin receptor type 1B
SpeciesGallus gallus (Chicken)
Gene
SynonymMel-1B-R
Mel1b receptor
DiseaseN/A for non-human GPCRs
Length289
Amino acid sequenceGNAFVVSLALADLVVALYPYPLVLLAIFHNGWTLGEMHCKVSGFVMGLSVIGSIFNITAIAINRYCYICHSFAYDKVYSCWNTMLYVSLIWVLTVIATVPNFFVGSLKYDPRIYSCTFVQTASSYYTIAVVVIHFIVPITVVSFCYLRIWVLVLQVRRRVKSETKPRLKPSDFRNFLTMFVVFVIFAFCWAPLNFIGLAVAINPSEMAPKVPEWLFIISYFMAYFNSCLNAIIYGLLNQNFRNEYKRILMSLWMPRLFFQDTSKGGTDGQKSKPSPALNNNDQMKTDTL
UniProtP51050
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4466
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL111880
Molecular formulaC16H23NO2
IUPAC nameN-[(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methyl]propanamide
Molecular weight261.365
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50072661
N-(3-Methoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-ylmethyl)-propionamide
Inchi KeySDNRTJRJDCFHCE-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H23NO2/c1-3-16(18)17-11-13-7-5-4-6-12-8-9-14(19-2)10-15(12)13/h8-10,13H,3-7,11H2,1-2H3,(H,17,18)
PubChem CID44341395
ChEMBLCHEMBL111880
IUPHARN/A
BindingDB50072661
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki29.0 nMPMID9873728BindingDB,ChEMBL

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