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GPCR

NameCalcitonin gene-related peptide type 1 receptor
SpeciesRattus norvegicus (Rat)
GeneCalcrl
SynonymCalcitonin receptor-like receptor
CGRP type 1 receptor
CLR (unofficial abbreviation in common use)
CRLR
DiseaseN/A for non-human GPCRs
Length464
Amino acid sequenceMMDKKCTLCFLFLLLLNMALIAAESEEGANQTDLGVTRNKIMTAQYECYQKIMQDPIQQGEGLYCNRTWDGWLCWNDVAAGTESMQYCPDYFQDFDPSEKVTKICDQDGNWFRHPDSNRTWTNYTLCNNSTHEKVKTALNLFYLTIIGHGLSIASLIISLIIFFYFKSLSCQRITLHKNLFFSFVCNSIVTIIHLTAVANNQALVATNPVSCKVSQFIHLYLMGCNYFWMLCEGIYLHTLIVVAVFAEKQHLMWYYFLGWGFPLLPACIHAIARSLYYNDNCWISSDTHLLYIIHGPICAALLVNLFFLLNIVRVLITKLKVTHQAESNLYMKAVRATLILVPLLGIEFVLFPWRPEGKVAEEVYDYVMHILMHYQGLLVSTIFCFFNGEVQAILRRNWNQYKIQFGNGFSHSDALRSASYTVSTISDVQGYSHDCPTEHLNGKSIQDIENVALKPEKMYDLVM
UniProtQ63118
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4755
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL2369465
Molecular formulaC136H223N41O38
IUPAC name(2S)-N-[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]butanediamide
Molecular weight3040.53
Hydrogen bond acceptor43
Hydrogen bond donor43
XlogP-8.9
SynonymsBDBM50000745
[Val-Thr-His-Arg-Leu-Ala-Gly-Leu-Leu-Ser-Arg-Ser-Gly-Gly-Val-Val-Lys-Asn-Asn-Phe-Val-Pro-Thr-Asn-Val-Gly-Ser-Lys-Ala-Phe-NH2] hCG
Inchi KeyYMZWULAMJSDVHS-UZKMAXLXSA-N
Inchi IDInChI=1S/C136H223N41O38/c1-64(2)46-84(156-100(187)58-149-111(191)72(17)153-118(198)85(47-65(3)4)162-113(193)74(19)155-119(199)88(51-79-55-146-63-152-79)167-134(214)109(76(21)182)176-129(209)103(142)67(7)8)120(200)163-86(48-66(5)6)121(201)170-94(62-180)127(207)159-82(40-32-44-147-136(144)145)117(197)169-92(60-178)114(194)150-56-99(186)148-57-102(189)171-105(69(11)12)132(212)173-106(70(13)14)131(211)160-81(39-29-31-43-138)116(196)165-89(52-96(139)183)123(203)166-90(53-97(140)184)122(202)164-87(50-78-36-26-23-27-37-78)124(204)174-107(71(15)16)135(215)177-45-33-41-95(177)128(208)175-108(75(20)181)133(213)168-91(54-98(141)185)125(205)172-104(68(9)10)130(210)151-59-101(188)157-93(61-179)126(206)158-80(38-28-30-42-137)115(195)154-73(18)112(192)161-83(110(143)190)49-77-34-24-22-25-35-77/h22-27,34-37,55,63-76,80-95,103-109,178-182H,28-33,38-54,56-62,137-138,142H2,1-21H3,(H2,139,183)(H2,140,184)(H2,141,185)(H2,143,190)(H,146,152)(H,148,186)(H,149,191)(H,150,194)(H,151,210)(H,153,198)(H,154,195)(H,155,199)(H,156,187)(H,157,188)(H,158,206)(H,159,207)(H,160,211)(H,161,192)(H,162,193)(H,163,200)(H,164,202)(H,165,196)(H,166,203)(H,167,214)(H,168,213)(H,169,197)(H,170,201)(H,171,189)(H,172,205)(H,173,212)(H,174,204)(H,175,208)(H,176,209)(H4,144,145,147)/t72-,73-,74-,75+,76+,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,103-,104-,105-,106-,107-,108-,109-/m0/s1
PubChem CID73351480
ChEMBLCHEMBL2369465
IUPHARN/A
BindingDB50000745
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
IC500.6 nMPMID1319490BindingDB
IC5033.0 nMPMID1319490ChEMBL
Relative affinity7.0 -PMID1319490ChEMBL

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