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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

NameCHEMBL39595
Molecular formulaC39H50Cl2IN3O2
IUPAC name1-[3-(3,4-dichlorophenyl)-3-[2-(1'-ethylspiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidin-1-ium]-1'-yl)ethyl]piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone;iodide
Molecular weight790.652
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogPNone
SynonymsN/A
Inchi KeyBAAAOAHFZRZVRF-UHFFFAOYSA-M
Inchi IDInChI=1S/C39H50Cl2N3O2.HI/c1-4-44(23-18-39(19-24-44)34-12-6-5-10-31(34)15-20-42-39)22-17-38(32-13-14-35(40)36(41)27-32)16-8-21-43(28-38)37(45)26-30-9-7-11-33(25-30)46-29(2)3;/h5-7,9-14,25,27,29,42H,4,8,15-24,26,28H2,1-3H3;1H/q+1;/p-1
PubChem CID44286037
ChEMBLCHEMBL39595
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
IC504.8 nMPMID9873386ChEMBL

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