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

NameCHEMBL3758826
Molecular formulaC75H113N19O12S2
IUPAC name(5R,15S,18S,21S,23S,28S,31S,34S,37S,40S,50R)-50-amino-15-(2-amino-2-oxoethyl)-34,40-dibenzyl-18,31-bis[3-(diaminomethylideneamino)propyl]-37-(2-methylpropyl)-7,14,17,20,30,33,36,39,42,49-decaoxo-3,52-dithia-6,13,16,19,29,32,35,38,41,48-decazatetracyclo[52.3.1.021,29.023,28]octapentaconta-1(57),54(58),55-triene-5-carboxamide
Molecular weight1536.97
Hydrogen bond acceptor17
Hydrogen bond donor16
XlogP1.1
SynonymsN/A
Inchi KeyITCWUFHMHTVRPO-XDODRLFFSA-N
Inchi IDInChI=1S/C75H113N19O12S2/c1-46(2)36-55-69(102)92-57(39-48-22-9-4-10-23-48)71(104)90-54(28-19-35-86-75(81)82)73(106)94-60-29-14-13-26-51(60)40-61(94)72(105)89-53(27-18-34-85-74(79)80)68(101)93-58(41-62(77)95)67(100)84-33-16-6-12-31-64(97)88-59(65(78)98)45-108-43-50-25-17-24-49(37-50)42-107-44-52(76)66(99)83-32-15-5-11-30-63(96)87-56(70(103)91-55)38-47-20-7-3-8-21-47/h3-4,7-10,17,20-25,37,46,51-61H,5-6,11-16,18-19,26-36,38-45,76H2,1-2H3,(H2,77,95)(H2,78,98)(H,83,99)(H,84,100)(H,87,96)(H,88,97)(H,89,105)(H,90,104)(H,91,103)(H,92,102)(H,93,101)(H4,79,80,85)(H4,81,82,86)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/m0/s1
PubChem CID127028300
ChEMBLCHEMBL3758826
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
Emax30.0 %PMID26204509ChEMBL

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