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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

NameBDBM50422415
Molecular formulaC149H222N38O44S3
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-[[(2S)-4-amino-1-[(2S)-2-[(2S)-2-[[(2S)-2-[[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[2-[[(2S)-1-[(2S)-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-5-yl)propanoyl]amino]-3-phenylpropanoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Molecular weight3345.82
Hydrogen bond acceptor50
Hydrogen bond donor44
XlogP-10.7
SynonymsN/A
Inchi KeyHFYXIJPNTYGTQI-ZKZAADFESA-N
Inchi IDInChI=1S/C149H222N38O44S3/c1-17-74(8)117(141(223)160-66-113(201)179-116(73(6)7)140(222)159-63-111(199)162-76(10)147(229)186-49-28-37-105(186)124(155)206)181-125(207)75(9)163-142(224)120(79(13)191)182-130(212)90(44-46-108(152)196)167-139(221)106-38-29-50-187(106)148(230)100(57-84-34-25-20-26-35-84)176-143(225)118(77(11)189)165-97(58-86-62-156-70-161-86)133(215)169-92(54-82-30-21-18-22-31-82)123(205)104-36-27-48-185(104)149(231)101(60-110(154)198)175-132(214)95(55-83-32-23-19-24-33-83)172-135(217)99(61-115(203)204)173-128(210)89(43-45-107(151)195)168-145(227)121(80(14)192)183-136(218)96(56-85-39-41-87(194)42-40-85)174-144(226)119(78(12)190)180-114(202)65-158-127(209)93(52-71(2)3)170-129(211)91(47-51-234-16)166-138(220)103(69-233)178-146(228)122(81(15)193)184-137(219)102(67-188)177-131(213)94(53-72(4)5)171-134(216)98(59-109(153)197)164-112(200)64-157-126(208)88(150)68-232/h18-26,30-35,39-42,62,70-81,88-106,116-122,165,188-194,232-233H,17,27-29,36-38,43-61,63-69,150H2,1-16H3,(H2,151,195)(H2,152,196)(H2,153,197)(H2,154,198)(H2,155,206)(H,156,161)(H,157,208)(H,158,209)(H,159,222)(H,160,223)(H,162,199)(H,163,224)(H,164,200)(H,166,220)(H,167,221)(H,168,227)(H,169,215)(H,170,211)(H,171,216)(H,172,217)(H,173,210)(H,174,226)(H,175,214)(H,176,225)(H,177,213)(H,178,228)(H,179,201)(H,180,202)(H,181,207)(H,182,212)(H,183,218)(H,184,219)(H,203,204)/t74-,75-,76-,77+,78+,79-,80+,81+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,116-,117-,118-,119-,120-,121-,122-/m0/s1
PubChem CID91900203
ChEMBLCHEMBL2304022
IUPHARN/A
BindingDB50422415
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
IC501905.0 nMPMID11855991BindingDB,ChEMBL
Relative affinity0.02 -PMID11855991ChEMBL

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