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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

NameCHEMBL2369892
Molecular formulaC150H227N39O44S3
IUPAC name(3S)-4-[[(2S)-1-[[(2S)-4-amino-1-[[(2S,4S)-8-amino-2-[[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]amino]-3-oxo-1-phenyloctan-4-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 weight3376.88
Hydrogen bond acceptor51
Hydrogen bond donor46
XlogP-11.3
SynonymsCHEMBL427989
BDBM50110271
CGNLSTCMLGTYTQDFNKFHTFPQTAIGVGAP-amide
Inchi KeyLHKCIEAVJUMENU-LTFZDLSNSA-N
Inchi IDInChI=1S/C150H227N39O44S3/c1-17-75(8)118(143(226)162-67-114(203)182-117(74(6)7)142(225)161-64-112(201)164-77(10)149(232)188-50-29-38-106(188)125(157)208)184-126(209)76(9)165-144(227)121(80(13)193)185-131(214)92(45-47-109(154)198)170-141(224)107-39-30-51-189(107)150(233)103(58-85-35-25-20-26-36-85)179-145(228)119(78(11)191)167-99(59-87-63-158-71-163-87)134(217)172-94(55-83-31-21-18-22-32-83)124(207)90(37-27-28-49-151)168-136(219)101(61-111(156)200)176-133(216)97(56-84-33-23-19-24-34-84)175-137(220)102(62-116(205)206)177-129(212)91(44-46-108(153)197)171-147(230)122(81(14)194)186-138(221)98(57-86-40-42-88(196)43-41-86)178-146(229)120(79(12)192)183-115(204)66-160-128(211)95(53-72(2)3)173-130(213)93(48-52-236-16)169-140(223)105(70-235)181-148(231)123(82(15)195)187-139(222)104(68-190)180-132(215)96(54-73(4)5)174-135(218)100(60-110(155)199)166-113(202)65-159-127(210)89(152)69-234/h18-26,31-36,40-43,63,71-82,89-107,117-123,167,190-196,234-235H,17,27-30,37-39,44-62,64-70,151-152H2,1-16H3,(H2,153,197)(H2,154,198)(H2,155,199)(H2,156,200)(H2,157,208)(H,158,163)(H,159,210)(H,160,211)(H,161,225)(H,162,226)(H,164,201)(H,165,227)(H,166,202)(H,168,219)(H,169,223)(H,170,224)(H,171,230)(H,172,217)(H,173,213)(H,174,218)(H,175,220)(H,176,216)(H,177,212)(H,178,229)(H,179,228)(H,180,215)(H,181,231)(H,182,203)(H,183,204)(H,184,209)(H,185,214)(H,186,221)(H,187,222)(H,205,206)/t75-,76-,77-,78+,79+,80+,81+,82+,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99?,100-,101-,102-,103-,104-,105-,106+,107+,117-,118-,119-,120-,121-,122-,123-/m0/s1
PubChem CID73351527
ChEMBLCHEMBL2369892
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
IC502450.0 nMPMID11855991ChEMBL
Relative affinity0.015 -PMID11855991ChEMBL

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