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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

NameCHEMBL214332
Molecular formulaC77H109N21O19S
IUPAC name(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-2-oxoethyl]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]-5-oxopentanoic acid
Molecular weight1664.91
Hydrogen bond acceptor23
Hydrogen bond donor23
XlogP-4.3
SynonymsAc-Ser-Tyr-Ser-Met-Glu-His--Phe-Arg-Trp-Gly-Lys-Pro-Val-NH2
2-Tyr-alpha-msh
Ac-Ser-Tyr-Ser-Met-Glu-His6-Phe7-Arg8-Trp9-Gly-Lys-Pro-Val-NH2
Msh, 2-tyrosine-alpha-
Ac-Ser-Tyr-Met-Glu-His-Phe-Arg-Trp-Gly-Lys-Pro-Val-NH2
[ Show all ]
Inchi KeyWHNFPRLDDSXQCL-UAZQEYIDSA-N
Inchi IDInChI=1S/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
PubChem CID16132144
ChEMBLCHEMBL214332
IUPHARN/A
BindingDB50029747
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
EC501.59 nMPMID15857138BindingDB,ChEMBL
EC501.7 nMPMID26005535BindingDB,ChEMBL
EC501.89 nMPMID15615519BindingDB,ChEMBL
EC501.93 nMPMID15828845BindingDB,ChEMBL
EC502.56 nMPMID18271518BindingDB,ChEMBL
EC502.9 nMPMID26433448BindingDB,ChEMBL
EC503.07 nMPMID11405661BindingDB,ChEMBL
EC504.0 nMPMID26959173ChEMBL
EC504.0 nMPMID26959173BindingDB
EC505.37 nMPMID12477357, PMID15084118, PMID12086493, PMID12061882BindingDB,ChEMBL
EC505.4 nMPMID14643357BindingDB,ChEMBL
EC508.8 nMPMID14552781BindingDB
EC508.8 nMPMID14552781ChEMBL
EC5019.3 nMPMID19635667BindingDB,ChEMBL
EC502470.0 nMPMID12781199BindingDB,ChEMBL

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