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

NameMelanocortin receptor 4
SpeciesMus musculus (Mouse)
GeneMc4r
SynonymMC4 receptor
MC4-R
DiseaseN/A for non-human GPCRs
Length332
Amino acid sequenceMNSTHHHGMYTSLHLWNRSSYGLHGNASESLGKGHPDGGCYEQLFVSPEVFVTLGVISLLENILVIVAIAKNKNLHSPMYFFICSLAVADMLVSVSNGSETIVITLLNSTDTDAQSFTVNIDNVIDSVICSSLLASICSLLSIAVDRYFTIFYALQYHNIMTVRRVGIIISCIWAACTVSGVLFIIYSDSSAVIICLISMFFTMLVLMASLYVHMFLMARLHIKRIAVLPGTGTIRQGTNMKGAITLTILIGVFVVCWAPFFLHLLFYISCPQNPYCVCFMSHFNLYLILIMCNAVIDPLIYALRSQELRKTFKEIICFYPLGGICELSSRY
UniProtP56450
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3719
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL3799094
Molecular formulaC74H101N23O16
IUPAC name(2S)-N-[2-[(2S)-2-[[2-[(2S)-2-[[2-[(2S)-2-[[2-[(2S)-2-[[2-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-1-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carboxamide
Molecular weight1568.77
Hydrogen bond acceptor19
Hydrogen bond donor17
XlogP-3.2
SynonymsBDBM50164798
Inchi KeyBBSFNUWKFPLIJR-JDRZNSOUSA-N
Inchi IDInChI=1S/C74H101N23O16/c75-64(104)50(32-44-34-81-47-16-5-4-15-46(44)47)91-66(106)49(18-7-25-80-74(76)77)90-67(107)51(31-43-13-2-1-3-14-43)92-68(108)52(33-45-35-78-42-88-45)89-58(98)36-82-69(109)53-19-8-26-93(53)60(100)38-84-71(111)55-21-10-28-95(55)62(102)40-86-73(113)57-23-12-30-97(57)63(103)41-87-72(112)56-22-11-29-96(56)61(101)39-85-70(110)54-20-9-27-94(54)59(99)37-83-65(105)48-17-6-24-79-48/h1-5,13-16,34-35,42,48-57,79,81H,6-12,17-33,36-41H2,(H2,75,104)(H,78,88)(H,82,109)(H,83,105)(H,84,111)(H,85,110)(H,86,113)(H,87,112)(H,89,98)(H,90,107)(H,91,106)(H,92,108)(H4,76,77,80)/t48-,49-,50-,51+,52-,53-,54-,55-,56-,57-/m0/s1
PubChem CID127046977
ChEMBLCHEMBL3799094
IUPHARN/A
BindingDB50164798
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
EC5014.5 nMPMID26959173ChEMBL
EC5015.0 nMPMID26959173BindingDB
IC50258.0 nMPMID26959173BindingDB,ChEMBL
Ratio EC500.9 -PMID26959173ChEMBL
Ratio IC500.8 -PMID26959173ChEMBL

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