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GPCR

NameMelanocortin receptor 4
SpeciesHomo sapiens (Human)
GeneMC4R
SynonymMC4-R
MC4 receptor
DiseaseObesity; Sexual dysfunction
Obesity; Diabetes
Obesity
Metabolic disorders
Sexual dysfunction
[ Show all ]
Length332
Amino acid sequenceMVNSTHRGMHTSLHLWNRSSYRLHSNASESLGKGYSDGGCYEQLFVSPEVFVTLGVISLLENILVIVAIAKNKNLHSPMYFFICSLAVADMLVSVSNGSETIVITLLNSTDTDAQSFTVNIDNVIDSVICSSLLASICSLLSIAVDRYFTIFYALQYHNIMTVKRVGIIISCIWAACTVSGILFIIYSDSSAVIICLITMFFTMLALMASLYVHMFLMARLHIKRIAVLPGTGAIRQGANMKGAITLTILIGVFVVCWAPFFLHLIFYISCPQNPYCVCFMSHFNLYLILIMCNSIIDPLIYALRSQELRKTFKEIICCYPLGGLCDLSSRY
UniProtP32245
Protein Data BankN/A
GPCR-HGmod modelP32245
3D structure modelThis predicted structure model is from GPCR-EXP P32245.
BioLiPN/A
Therapeutic Target DatabaseT72458
ChEMBLCHEMBL259
IUPHAR285
DrugBankN/A

Ligand

NameCHEMBL341055
Molecular formulaC37H44ClN5O5S
IUPAC nameN-[2-[4-[(2S)-4-(4-benzoylpiperazin-1-yl)-2-[(4-chlorophenyl)methyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-N-(cyclopropylmethyl)methanesulfonamide
Molecular weight706.299
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.1
SynonymsSCHEMBL4517022
BDBM50138303
(2S)-1-[4-[2-[Cyclopropylmethyl(methylsulfonyl)amino]phenyl]piperazino]-2-(4-chlorobenzyl)-4-(4-benzoylpiperazino)-1,4-butanedione
(S)-4-(4-Benzoyl-piperazin-1-yl)-2-(4-chloro-benzyl)-1-{4-[2-(2-cyclopropyl-1-methanesulfonyl-ethyl)-phenyl]-piperazin-1-yl}-butane-1,4-dione
Inchi KeyAMRXDMFAGJZGHN-HKBQPEDESA-N
Inchi IDInChI=1S/C37H44ClN5O5S/c1-49(47,48)43(27-29-11-12-29)34-10-6-5-9-33(34)39-17-21-42(22-18-39)37(46)31(25-28-13-15-32(38)16-14-28)26-35(44)40-19-23-41(24-20-40)36(45)30-7-3-2-4-8-30/h2-10,13-16,29,31H,11-12,17-27H2,1H3/t31-/m0/s1
PubChem CID44349593
ChEMBLCHEMBL341055
IUPHARN/A
BindingDB50138303
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Activation55.0 %PMID14698163ChEMBL
EC5083.0 nMPMID14698163BindingDB,ChEMBL
IC504.4 nMPMID14698163BindingDB,ChEMBL

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