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GPCR

NameSubstance-P receptor
SpeciesHomo sapiens (Human)
GeneTACR1
SynonymNK-1R
TAC1R
Substance P receptor
Tachykinin receptor 1
NK-1 receptor
[ Show all ]
DiseaseNausea; Vomiting
Overactive bladder disorder
Pain
Respiratory tract inflammation
Schizophrenia
[ Show all ]
Length407
Amino acid sequenceMDNVLPVDSDLSPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPSRVVCMIEWPEHPNKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQGSVYKVSRLETTISTVVGAHEEEPEDGPKATPSSLDLTSNCSSRSDSKTMTESFSFSSNVLS
UniProtP25103
Protein Data Bank6e59, 6hlo, 2ks9, 6hll, 2ksb, 2ksa, 6hlp
GPCR-HGmod modelP25103
3D structure modelThis structure is from PDB ID 6e59.
BioLiPBL0434896, BL0437913, BL0101801, BL0101803, BL0101802, BL0437915, BL0437914
Therapeutic Target DatabaseT47094
ChEMBLCHEMBL249
IUPHAR360
DrugBankBE0000384

Ligand

NameCHEMBL420876
Molecular formulaC29H32N2
IUPAC name(8S,9S)-8-benzhydryl-N-benzyl-7-azatricyclo[4.3.1.03,7]decan-9-amine
Molecular weight408.589
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP6.0
SynonymsBDBM50408470
Inchi KeyAIGRKPPMDORFBF-IRYDGCRRSA-N
Inchi IDInChI=1S/C29H32N2/c1-4-10-21(11-5-1)20-30-28-24-18-25-16-17-26(19-24)31(25)29(28)27(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-30H,16-20H2/t24?,25?,26?,28-,29-/m0/s1
PubChem CID15639109
ChEMBLCHEMBL420876
IUPHARN/A
BindingDB50408470
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC5067.61 nMPMID9733486BindingDB,ChEMBL

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