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GPCR

NameG-protein coupled receptor Mth
SpeciesDrosophila melanogaster (Fruit fly)
Genemth
SynonymProtein methuselah
DiseaseN/A for non-human GPCRs
Length514
Amino acid sequenceMKTLLVLRISTVILVVLVIQKSYADILECDYFDTVDISAAQKLQNGSYLFEGLLVPAILTGEYDFRILPDDSKQKVARHIRGCVCKLKPCVRFCCPHDHIMDNGVCYDNMSDEELAELDPFLNVTLDDGSVSRRHFKNELIVQWDLPMPCDGMFYLDNREEQDKYTLFENGTFFRHFDRVTLRKREYCLQHLTFADGNATSIRIAPHNCLIVPSITGQTVVMISSLICMVLTIAVYLFVKKLQNLHGKCFICYMVCLFMGYLFLLLDLWQISISFCKPAGFLGYFFVMAAFFWLSVISLHLWNTFRGSSHKANRFLFEHRFLAYNTYAWGMAVVLTGITVLADNIVENQDWNPRVGHEGHCWIYTQAWSAMLYFYGPMVFLIAFNITMFILTAKRILGVKKDIQNFAHRQERKQKLNSDKQTYTFFLRLFIIMGLSWSLEIGSYFSQSNQTWANVFLVADYLNWSQGIIIFILFVLKRSTWRLLQESIRGEGEEVNNSEEEISLENTTTRNVLL
UniProtO97148
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3309000
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL1221881
Molecular formulaC151H246N50O32S2
IUPAC name(3S)-3-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Molecular weight3338.07
Hydrogen bond acceptor43
Hydrogen bond donor52
XlogP-5.9
SynonymsN/A
Inchi KeyHWPYUPWTOCBEEU-NXVHGZMRSA-N
Inchi IDInChI=1S/C151H246N50O32S2/c1-18-84(14)120(200-138(225)108(66-87-70-173-93-40-24-22-37-90(87)93)195-143(230)118(82(10)11)198-137(224)106(64-81(8)9)189-122(209)92(153)39-28-52-167-146(154)155)144(231)199-119(83(12)13)142(229)187-100(47-33-57-172-151(164)165)131(218)197-113(76-203)140(227)183-98(45-31-55-170-149(160)161)129(216)193-109(68-89-72-166-77-177-89)135(222)192-107(65-86-35-20-19-21-36-86)124(211)176-74-116(205)201-58-34-48-114(201)141(228)186-99(46-32-56-171-150(162)163)130(217)191-105(63-80(6)7)133(220)181-97(44-30-54-169-148(158)159)128(215)184-101(49-59-234-16)125(212)178-85(15)121(208)188-104(62-79(4)5)134(221)190-103(61-78(2)3)123(210)175-73-115(204)179-112(75-202)139(226)194-110(69-117(206)207)136(223)182-96(43-29-53-168-147(156)157)127(214)180-95(42-26-27-51-152)126(213)185-102(50-60-235-17)132(219)196-111(145(232)233)67-88-71-174-94-41-25-23-38-91(88)94/h19-25,35-38,40-41,70-72,77-85,92,95-114,118-120,173-174,202-203H,18,26-34,39,42-69,73-76,152-153H2,1-17H3,(H,166,177)(H,175,210)(H,176,211)(H,178,212)(H,179,204)(H,180,214)(H,181,220)(H,182,223)(H,183,227)(H,184,215)(H,185,213)(H,186,228)(H,187,229)(H,188,208)(H,189,209)(H,190,221)(H,191,217)(H,192,222)(H,193,216)(H,194,226)(H,195,230)(H,196,219)(H,197,218)(H,198,224)(H,199,231)(H,200,225)(H,206,207)(H,232,233)(H4,154,155,167)(H4,156,157,168)(H4,158,159,169)(H4,160,161,170)(H4,162,163,171)(H4,164,165,172)/t84-,85-,92-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,118-,119-,120-/m0/s1
PubChem CID49864470
ChEMBLCHEMBL1221881
IUPHARN/A
BindingDBN/A
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
IC5045.0 nMPMID17546039ChEMBL
Kd18.0 nMPMID17546039ChEMBL

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