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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

NameCGNLSTCMLGTYTQDFc[DKFHO]FPQTAIGVGAP-amide
Molecular formulaC151H227N39O43S3
IUPAC name(3S)-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-[[(2S)-1-[[(7S,10S,17S)-7-(4-aminobutyl)-17-[[(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]carbamoyl]-5-benzyl-2-(1H-imidazol-4-ylmethyl)-3,6,9,12-tetraoxo-1,4,8,13-tetrazacycloheptadec-10-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Molecular weight3372.89
Hydrogen bond acceptor50
Hydrogen bond donor45
XlogP-10.0
SynonymsD0J2UD
Inchi KeyQYDBESOJOBAYMS-KXFCUHMWSA-N
Inchi IDInChI=1S/C151H227N39O43S3/c1-16-77(8)120(145(227)163-69-116(203)183-119(76(6)7)144(226)162-66-114(201)165-79(10)150(232)189-52-29-39-108(189)126(157)208)185-127(209)78(9)166-146(228)122(81(12)193)186-133(215)94(46-48-111(155)198)171-143(225)109-40-30-53-190(109)151(233)105(60-86-35-24-19-25-36-86)180-130(212)92-38-28-51-159-113(200)63-103(138(220)169-91(37-26-27-50-152)125(207)96(57-84-31-20-17-21-32-84)173-136(218)101(167-92)61-88-65-158-73-164-88)177-135(217)99(58-85-33-22-18-23-34-85)176-139(221)104(64-118(205)206)178-131(213)93(45-47-110(154)197)172-148(230)123(82(13)194)187-140(222)100(59-87-41-43-89(196)44-42-87)179-147(229)121(80(11)192)184-117(204)68-161-129(211)97(55-74(2)3)174-132(214)95(49-54-236-15)170-142(224)107(72-235)182-149(231)124(83(14)195)188-141(223)106(70-191)181-134(216)98(56-75(4)5)175-137(219)102(62-112(156)199)168-115(202)67-160-128(210)90(153)71-234/h17-25,31-36,41-44,65,73-83,90-109,119-124,167,191-196,234-235H,16,26-30,37-40,45-64,66-72,152-153H2,1-15H3,(H2,154,197)(H2,155,198)(H2,156,199)(H2,157,208)(H,158,164)(H,159,200)(H,160,210)(H,161,211)(H,162,226)(H,163,227)(H,165,201)(H,166,228)(H,168,202)(H,169,220)(H,170,224)(H,171,225)(H,172,230)(H,173,218)(H,174,214)(H,175,219)(H,176,221)(H,177,217)(H,178,213)(H,179,229)(H,180,212)(H,181,216)(H,182,231)(H,183,203)(H,184,204)(H,185,209)(H,186,215)(H,187,222)(H,188,223)(H,205,206)/t77-,78-,79-,80+,81+,82+,83+,90-,91-,92-,93-,94-,95-,96?,97-,98-,99-,100-,101?,102-,103-,104-,105-,106-,107-,108+,109+,119-,120-,121-,122-,123-,124-/m0/s1
PubChem CID44269047
ChEMBLN/A
IUPHARN/A
BindingDB50110264
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
IC50173.0 nMPMID11855991BindingDB

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