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GPCR

NameMelanocortin receptor 5
SpeciesMus musculus (Mouse)
GeneMc5r
SynonymMC5 receptor
MC5-R
MC5R
melanocortin receptor 5
DiseaseN/A for non-human GPCRs
Length325
Amino acid sequenceMNSSSTLTVLNLTLNASEDGILGSNVKNKSLACEEMGIAVEVFLTLGLVSLLENILVIGAIVKNKNLHSPMYFFVGSLAVADMLVSMSNAWETVTIYLLNNKHLVIADTFVRHIDNVFDSMICISVVASMCSLLAIAVDRYITIFYALRYHHIMTARRSGVIIACIWTFCISCGIVFIIYYESKYVIICLISMFFTMLFFMVSLYIHMFLLARNHVKRIAASPRYNSVRQRTSMKGAITLTMLLGIFIVCWSPFFLHLILMISCPQNVYCSCFMSYFNMYLILIMCNSVIDPLIYALRSQEMRRTFKEIVCCHGFRRPCRLLGGY
UniProtP41149
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4489
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL3577977
Molecular formulaC84H114N22O21S2
IUPAC name(4R,7S,10S,13S,16S,19S,22S,25R)-25-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-acetamido-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-13-(2-amino-2-oxoethyl)-7,16,19-tribenzyl-22-(3-carbamimidamidopropyl)-10-methyl-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carboxamide
Molecular weight1832.09
Hydrogen bond acceptor25
Hydrogen bond donor27
XlogP-2.5
SynonymsBDBM50089421
Inchi KeyCZAFJQFHVPEMKH-LXMWGWPASA-N
Inchi IDInChI=1S/C84H114N22O21S2/c1-43-70(115)97-57(35-48-17-9-6-10-18-48)75(120)104-64(79(124)100-61(39-52-27-31-54(112)32-28-52)77(122)105-67(45(3)108)80(125)95-55(69(86)114)23-15-33-91-83(87)88)42-129-128-41-63(103-76(121)60(38-51-25-29-53(111)30-26-51)102-81(126)68(46(4)109)106-82(127)66(44(2)107)94-47(5)110)78(123)96-56(24-16-34-92-84(89)90)71(116)98-58(36-49-19-11-7-12-20-49)73(118)99-59(37-50-21-13-8-14-22-50)74(119)101-62(40-65(85)113)72(117)93-43/h6-14,17-22,25-32,43-46,55-64,66-68,107-109,111-112H,15-16,23-24,33-42H2,1-5H3,(H2,85,113)(H2,86,114)(H,93,117)(H,94,110)(H,95,125)(H,96,123)(H,97,115)(H,98,116)(H,99,118)(H,100,124)(H,101,119)(H,102,126)(H,103,121)(H,104,120)(H,105,122)(H,106,127)(H4,87,88,91)(H4,89,90,92)/t43-,44+,45+,46+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,66-,67-,68-/m0/s1
PubChem CID122178147
ChEMBLCHEMBL3577977
IUPHARN/A
BindingDB50089421
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
EC50<100000000.0 nMPMID25898270BindingDB,ChEMBL

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