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GPCR

NameSubstance-P receptor
SpeciesCavia porcellus (Guinea pig)
GeneTACR1
SynonymNK-1 receptor
NK-1R
SPR
Tachykinin receptor 1
DiseaseN/A for non-human GPCRs
Length407
Amino acid sequenceMDNVLPVDSDLFPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPGRVVCMIEWPSHPDKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAADYEGLEMKSTRYFQTQGSVYKVSRLETTISTVVGAHEEDPEEGPKATPSSLDLTSNGSSRSNSKTVTESSSFYSNMLS
UniProtP30547
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3942
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL289727
Molecular formulaC38H48Cl2IN3O2
IUPAC name1-[3-(3,4-dichlorophenyl)-3-[2-(1'-methylspiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidin-1-ium]-1'-yl)ethyl]piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone;iodide
Molecular weight776.625
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogPNone
SynonymsN/A
Inchi KeyCYBBARRKWVKXAZ-UHFFFAOYSA-M
Inchi IDInChI=1S/C38H48Cl2N3O2.HI/c1-28(2)45-32-10-6-8-29(24-32)25-36(44)42-20-7-15-37(27-42,31-12-13-34(39)35(40)26-31)16-21-43(3)22-17-38(18-23-43)33-11-5-4-9-30(33)14-19-41-38;/h4-6,8-13,24,26,28,41H,7,14-23,25,27H2,1-3H3;1H/q+1;/p-1
PubChem CID44286052
ChEMBLCHEMBL289727
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
IC502.0 nMPMID9873386ChEMBL

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