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

NameMelanocortin receptor 5
SpeciesMus musculus (Mouse)
GeneMc5r
SynonymMC5 receptor
MC5-R
MC5R
melanocortin receptor 5
DiseaseN/A for non-human GPCRs
Length325
Amino acid sequenceMNSSSTLTVLNLTLNASEDGILGSNVKNKSLACEEMGIAVEVFLTLGLVSLLENILVIGAIVKNKNLHSPMYFFVGSLAVADMLVSMSNAWETVTIYLLNNKHLVIADTFVRHIDNVFDSMICISVVASMCSLLAIAVDRYITIFYALRYHHIMTARRSGVIIACIWTFCISCGIVFIIYYESKYVIICLISMFFTMLFFMVSLYIHMFLLARNHVKRIAASPRYNSVRQRTSMKGAITLTMLLGIFIVCWSPFFLHLILMISCPQNVYCSCFMSYFNMYLILIMCNSVIDPLIYALRSQEMRRTFKEIVCCHGFRRPCRLLGGY
UniProtP41149
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4489
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL568836
Molecular formulaC31H38FN9O5
IUPAC name(2R)-5-(diaminomethylideneamino)-2-[[(2R)-2-[[(2S)-2-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]pentanamide
Molecular weight635.701
Hydrogen bond acceptor8
Hydrogen bond donor7
XlogP-0.1
Synonyms(S)-2-((R)-2-((S)-2-(4-(4-fluorophenyl)-4-oxobutanamido)-3-(1H-imidazol-5-yl)propanamido)-3-phenylpropanamido)-5-guanidinopentanamide
BDBM50301150
Inchi KeyGCGOAZRZURMILC-SDHSZQHLSA-N
Inchi IDInChI=1S/C31H38FN9O5/c32-21-10-8-20(9-11-21)26(42)12-13-27(43)39-25(16-22-17-36-18-38-22)30(46)41-24(15-19-5-2-1-3-6-19)29(45)40-23(28(33)44)7-4-14-37-31(34)35/h1-3,5-6,8-11,17-18,23-25H,4,7,12-16H2,(H2,33,44)(H,36,38)(H,39,43)(H,40,45)(H,41,46)(H4,34,35,37)/t23-,24-,25+/m1/s1
PubChem CID45487296
ChEMBLCHEMBL568836
IUPHARN/A
BindingDB50301150
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5010500.0 nMPMID19635667BindingDB,ChEMBL

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