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 ●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

NameMelanocyte-stimulating hormone receptor
SpeciesMus musculus (Mouse)
GeneMc1r
SynonymMC1 receptor
MC1-R
melanocortin 1 receptor (alpha melanocyte stimulating hormone receptor)
Melanocortin receptor 1
MSH-R
DiseaseN/A for non-human GPCRs
Length315
Amino acid sequenceMSTQEPQKSLLGSLNSNATSHLGLATNQSEPWCLYVSIPDGLFLSLGLVSLVENVLVVIAITKNRNLHSPMYYFICCLALSDLMVSVSIVLETTIILLLEAGILVARVALVQQLDNLIDVLICGSMVSSLCFLGIIAIDRYISIFYALRYHSIVTLPRARRAVVGIWMVSIVSSTLFITYYKHTAVLLCLVTFFLAMLALMAILYAHMFTRACQHAQGIAQLHKRRRSIRQGFCLKGAATLTILLGIFFLCWGPFFLHLLLIVLCPQHPTCSCIFKNFNLFLLLIVLSSTVDPLIYAFRSQELRMTLKEVLLCSW
UniProtQ01727
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4077
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
EC5016.0 nMPMID26959173BindingDB
EC5016.4 nMPMID26959173ChEMBL
IC501090.0 nMPMID26959173BindingDB,ChEMBL
Ratio EC500.9 -PMID26959173ChEMBL
Ratio IC500.4 -PMID26959173ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417