Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

GPCR

NameNeuromedin-U receptor 2
SpeciesHomo sapiens (Human)
GeneNMUR2
SynonymG-protein coupled receptor FM-4
G-protein coupled receptor TGR-1
FM4
NMU-R2
NMU2 receptor
[ Show all ]
DiseaseN/A
Length415
Amino acid sequenceMSGMEKLQNASWIYQQKLEDPFQKHLNSTEEYLAFLCGPRRSHFFLPVSVVYVPIFVVGVIGNVLVCLVILQHQAMKTPTNYYLFSLAVSDLLVLLLGMPLEVYEMWRNYPFLFGPVGCYFKTALFETVCFASILSITTVSVERYVAILHPFRAKLQSTRRRALRILGIVWGFSVLFSLPNTSIHGIKFHYFPNGSLVPGSATCTVIKPMWIYNFIIQVTSFLFYLLPMTVISVLYYLMALRLKKDKSLEADEGNANIQRPCRKSVNKMLFVLVLVFAICWAPFHIDRLFFSFVEEWSESLAAVFNLVHVVSGVFFYLSSAVNPIIYNLLSRRFQAAFQNVISSFHKQWHSQHDPQLPPAQRNIFLTECHFVELTEDIGPQFPCQSSMHNSHLPAALSSEQMSRTNYQSFHFNKT
UniProtQ9GZQ4
Protein Data BankN/A
GPCR-HGmod modelQ9GZQ4
3D structure modelThis predicted structure model is from GPCR-EXP Q9GZQ4.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1075144
IUPHAR299
DrugBankN/A

Ligand

NameCHEMBL3759408
Molecular formulaC63H101N19O12S2
IUPAC name(2S)-N-[6-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-6-oxohexyl]-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[6-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]hexanoylamino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]butanediamide
Molecular weight1380.74
Hydrogen bond acceptor17
Hydrogen bond donor18
XlogP-2.0
SynonymsN/A
Inchi KeyFNLRHCKDWBNOEN-IAUAMBRNSA-N
Inchi IDInChI=1S/C63H101N19O12S2/c1-38(2)32-44(79-58(91)45(33-39-18-7-3-8-19-39)75-51(84)25-11-5-13-27-71-54(87)41(64)36-95)57(90)80-46(34-40-20-9-4-10-21-40)59(92)78-43(23-16-30-74-63(69)70)61(94)82-31-17-24-49(82)60(93)77-42(22-15-29-73-62(67)68)56(89)81-47(35-50(65)83)55(88)72-28-14-6-12-26-52(85)76-48(37-96)53(66)86/h3-4,7-10,18-21,38,41-49,95-96H,5-6,11-17,22-37,64H2,1-2H3,(H2,65,83)(H2,66,86)(H,71,87)(H,72,88)(H,75,84)(H,76,85)(H,77,93)(H,78,92)(H,79,91)(H,80,90)(H,81,89)(H4,67,68,73)(H4,69,70,74)/t41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
PubChem CID127025171
ChEMBLCHEMBL3759408
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
EC50281.84 nMPMID26204509ChEMBL
Emax53.6 %PMID26204509ChEMBL

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