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

NameNeuromedin-U receptor 1
SpeciesHomo sapiens (Human)
GeneNMUR1
SynonymNMU1 receptor
NmU-R1
GPR66
G-protein coupled receptor FM-3
G-protein coupled receptor 66
[ Show all ]
DiseaseN/A
Length426
Amino acid sequenceMTPLCLNCSVLPGDLYPGGARNPMACNGSAARGHFDPEDLNLTDEALRLKYLGPQQTELFMPICATYLLIFVVGAVGNGLTCLVILRHKAMRTPTNYYLFSLAVSDLLVLLVGLPLELYEMWHNYPFLLGVGGCYFRTLLFEMVCLASVLNVTALSVERYVAVVHPLQARSMVTRAHVRRVLGAVWGLAMLCSLPNTSLHGIRQLHVPCRGPVPDSAVCMLVRPRALYNMVVQTTALLFFCLPMAIMSVLYLLIGLRLRRERLLLMQEAKGRGSAAARSRYTCRLQQHDRGRRQVTKMLFVLVVVFGICWAPFHADRVMWSVVSQWTDGLHLAFQHVHVISGIFFYLGSAANPVLYSLMSSRFRETFQEALCLGACCHRLRPRHSSHSLSRMTTGSTLCDVGSLGSWVHPLAGNDGPEAQQETDPS
UniProtQ9HB89
Protein Data BankN/A
GPCR-HGmod modelQ9HB89
3D structure modelThis predicted structure model is from GPCR-EXP Q9HB89.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1075178
IUPHAR298
DrugBankN/A

Ligand

NameCHEMBL3758687
Molecular formulaC53H83N17O10
IUPAC name(2S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-amino-2-methylpropanoyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]butanediamide
Molecular weight1118.36
Hydrogen bond acceptor13
Hydrogen bond donor14
XlogP-2.1
SynonymsN/A
Inchi KeyPJEHVZMSSMHRIX-ZTYVOHGWSA-N
Inchi IDInChI=1S/C53H83N17O10/c1-30(2)26-35(65-44(75)37(68-49(80)52(3,4)60)28-32-18-11-8-12-19-32)42(73)66-36(27-31-16-9-7-10-17-31)43(74)64-34(21-14-24-62-51(58)59)47(78)70-25-15-22-39(70)46(77)63-33(20-13-23-61-50(56)57)41(72)67-38(29-40(54)71)45(76)69-53(5,6)48(55)79/h7-12,16-19,30,33-39H,13-15,20-29,60H2,1-6H3,(H2,54,71)(H2,55,79)(H,63,77)(H,64,74)(H,65,75)(H,66,73)(H,67,72)(H,68,80)(H,69,76)(H4,56,57,61)(H4,58,59,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
PubChem CID127026693
ChEMBLCHEMBL3758687
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC5058.88 nMPMID26204509ChEMBL
Emax77.0 %PMID26204509ChEMBL

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