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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

NameCID 44310242
Molecular formulaC68H80N18O17
IUPAC name(3R)-3-[2-[(6S,9R,12S,15R,18S,21S,24R)-12-(2-amino-2-oxoethyl)-6,21-dibenzyl-18-[3-(diaminomethylideneamino)propyl]-24-[[(2R)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoyl]amino]-15-(1H-indol-3-ylmethyl)-9-methyl-4,5,8,11,14,17,20,23,26-nonaoxo-1,3,7,10,13,16,19,22-octazacyclohexacosane-2-carbonyl]hydrazinyl]-4-(4-hydroxyphenyl)-2-oxobutanoic acid
Molecular weight1421.5
Hydrogen bond acceptor21
Hydrogen bond donor20
XlogP-2.4
SynonymsN/A
Inchi KeyBXPSHOXUOUAVOO-DTLZHJRJSA-N
Inchi IDInChI=1S/C68H80N18O17/c1-35-58(93)77-46(27-36-11-4-2-5-12-36)55(91)65(100)83-57(66(101)86-85-47(56(92)67(102)103)28-38-18-22-41(87)23-19-38)82-54(90)33-51(81-64(99)52(84-72)30-39-20-24-42(88)25-21-39)63(98)78-48(29-37-13-6-3-7-14-37)61(96)76-45(17-10-26-73-68(70)71)59(94)79-49(31-40-34-74-44-16-9-8-15-43(40)44)62(97)80-50(32-53(69)89)60(95)75-35/h2-9,11-16,18-25,34-35,45-52,57,74,84-85,87-88H,10,17,26-33,72H2,1H3,(H2,69,89)(H,75,95)(H,76,96)(H,77,93)(H,78,98)(H,79,94)(H,80,97)(H,81,99)(H,82,90)(H,83,100)(H,86,101)(H,102,103)(H4,70,71,73)/t35-,45+,46+,47-,48+,49-,50+,51-,52-,57?/m1/s1
PubChem CID44310242
ChEMBLCHEMBL406550
IUPHARN/A
BindingDB50144879
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
EC50450.0 nMPMID15084118BindingDB,ChEMBL
IC503100.0 nMPMID15084118BindingDB,ChEMBL
IC506800.0 nMPMID15084118BindingDB,ChEMBL

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