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GPCR

NameCalcitonin receptor
SpeciesRattus norvegicus (Rat)
GeneCalcr
SynonymC1A/C1B
calcitonin receptor
CT receptor
CT-R
CTR
[ Show all ]
DiseaseN/A for non-human GPCRs
Length516
Amino acid sequenceMRFLLLNRFTLLLLLLVSPTPVLQAPTNLTDSGLDQEPFLYLVGRKKLLDAQYKCYDRIQQLPPYEGEGPYCNRTWDGWMCWDDTPAGVMSYQHCPDYFPDFDPTEKVSKYCDENGEWFRHPDSNRTWSNYTLCNAFTPDKLHNAYVLYYLALVGHSMSIAALIASMGIFLFFKNLSCQRVTLHKNMFLTYILNSIIIIIHLVEVVPNGDLVRRDPMHIFHHNTYMWTMQWELSPPLPLSAHEGKMDPHDSEVISCKILHFFHQYMMACNYFWMLCEGIYLHTLIVMAVFTEDQRLRWYYLLGWGFPIVPTIIHAITRAVYYNDNCWLSTETHLLYIIHGPVMAALVVNFFFLLNIVRVLVTKMRQTHEAEAYMYLKAVKATMVLVPLLGIQFVVFPWRPSNKVLGKIYDYLMHSLIHFQGFFVATIYCFCNHEVQVTLKRQWAQFKIQWSHRWGRRRRPTNRVVSAPRAVAFAEPGGLPIYICHQEPRNPPVSNNEGEEGTEMIPMNVIQQDSSA
UniProtP32214
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2204
IUPHARN/A
DrugBankN/A

Ligand

NameCGNLSTCMLGTYTQDFNKPHTFPQTAIGVGAP-amide
Molecular formulaC146H225N39O44S3
IUPAC name(3S)-4-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[1-[2-[[(2S,3R)-1-[[(2S)-1-[(2R)-2-[[(2S)-5-amino-1-[[(2S,3R)-1-[[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[2-[[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid
Molecular weight3326.81
Hydrogen bond acceptor51
Hydrogen bond donor45
XlogP-12.5
SynonymsD03CEP
Inchi KeyNKZSJXPCNXUROW-NOXBKLPVSA-N
Inchi IDInChI=1S/C146H225N39O44S3/c1-17-72(8)114(138(221)158-64-110(199)177-113(71(6)7)137(220)157-61-108(197)160-74(10)144(227)184-48-27-35-102(184)121(153)204)179-122(205)73(9)161-139(222)117(77(13)189)180-127(210)88(42-44-105(150)194)166-136(219)103-36-28-49-185(103)145(228)97(55-81-31-22-19-23-32-81)174-140(223)115(75(11)187)163-98(56-83-60-154-68-159-83)146(229)183-47-26-34-101(183)120(203)86(33-24-25-46-147)164-131(214)95(58-107(152)196)171-129(212)92(53-80-29-20-18-21-30-80)170-132(215)96(59-112(201)202)172-125(208)87(41-43-104(149)193)167-142(225)118(78(14)190)181-133(216)93(54-82-37-39-84(192)40-38-82)173-141(224)116(76(12)188)178-111(200)63-156-124(207)90(51-69(2)3)168-126(209)89(45-50-232-16)165-135(218)100(67-231)176-143(226)119(79(15)191)182-134(217)99(65-186)175-128(211)91(52-70(4)5)169-130(213)94(57-106(151)195)162-109(198)62-155-123(206)85(148)66-230/h18-23,29-32,37-40,60,68-79,85-103,113-119,163,186-192,230-231H,17,24-28,33-36,41-59,61-67,147-148H2,1-16H3,(H2,149,193)(H2,150,194)(H2,151,195)(H2,152,196)(H2,153,204)(H,154,159)(H,155,206)(H,156,207)(H,157,220)(H,158,221)(H,160,197)(H,161,222)(H,162,198)(H,164,214)(H,165,218)(H,166,219)(H,167,225)(H,168,209)(H,169,213)(H,170,215)(H,171,212)(H,172,208)(H,173,224)(H,174,223)(H,175,211)(H,176,226)(H,177,199)(H,178,200)(H,179,205)(H,180,210)(H,181,216)(H,182,217)(H,201,202)/t72-,73-,74-,75+,76+,77+,78+,79+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98?,99-,100-,101?,102+,103+,113-,114-,115-,116-,117-,118-,119-/m0/s1
PubChem CID44269046
ChEMBLN/A
IUPHARN/A
BindingDB50110266
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
IC50<5000.0 nMPMID11855991BindingDB

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