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GPCR

NameSubstance-P receptor
SpeciesMeriones unguiculatus (Mongolian jird)
GeneTACR1
SynonymNK-1 receptor
NK-1R
SPR
Tachykinin receptor 1
DiseaseN/A for non-human GPCRs
Length407
Amino acid sequenceMDNVLPGDSDLFPNISTNSSESNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVIFVIWVLALLLAFPQGYYSTTETMPGRVVCMIEWPEHPNRTYEKAYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHVFFLLPYINPDLYVKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQGSVYKVSRLETTISTVVGAHEDEAEEGPKATPSSLDLTSNGSSRSNSKTMTESSSFYSNMLA
UniProtQ5DUB1
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1764942
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL3596454
Molecular formulaC22H24F3N5O
IUPAC name4-[[3-(2-methyltetrazol-5-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
Molecular weight431.463
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.1
SynonymsBDBM50108635
SCHEMBL3591955
4-((3-(2-Methyl-2H-tetrazol-5-yl)-5-(trifluoromethyl)benzyloxy)methyl)-4-phenylpiperidine
UZYVDYRJTQGWTR-UHFFFAOYSA-N
Inchi KeyUZYVDYRJTQGWTR-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24F3N5O/c1-30-28-20(27-29-30)17-11-16(12-19(13-17)22(23,24)25)14-31-15-21(7-9-26-10-8-21)18-5-3-2-4-6-18/h2-6,11-13,26H,7-10,14-15H2,1H3
PubChem CID58993657
ChEMBLCHEMBL3596454
IUPHARN/A
BindingDB50108635
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC5036.0 nMPMID26048800ChEMBL

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