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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

NameCHEMBL2035986
Molecular formulaC32H32F2N6O3
IUPAC name2-[(8R)-8-(3,5-difluorophenyl)-8-ethyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]acetamide
Molecular weight586.644
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP2.4
SynonymsBDBM50385310
Inchi KeyYYIRLNHPNVBRKV-CDZUIXILSA-N
Inchi IDInChI=1S/C32H32F2N6O3/c1-2-32(20-11-21(33)13-22(34)12-20)18-37-31(7-3-4-8-31)29(43)40(32)17-26(41)38-23-10-19-14-30(15-25(19)36-16-23)24-6-5-9-35-27(24)39-28(30)42/h5-6,9-13,16,37H,2-4,7-8,14-15,17-18H2,1H3,(H,38,41)(H,35,39,42)/t30-,32-/m0/s1
PubChem CID70683851
ChEMBLCHEMBL2035986
IUPHARN/A
BindingDB50385310
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki60.0 nMPMID22607672BindingDB,ChEMBL

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