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GPCR

NameSubstance-P receptor
SpeciesHomo sapiens (Human)
GeneTACR1
SynonymNK-1 receptor
Tachykinin receptor 1
TAC1R
SPR
Substance P receptor
[ Show all ]
DiseaseCough
Depression
Depression; Anxiety
Diabetes
Eczema
[ Show all ]
Length407
Amino acid sequenceMDNVLPVDSDLSPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPSRVVCMIEWPEHPNKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQGSVYKVSRLETTISTVVGAHEEEPEDGPKATPSSLDLTSNCSSRSDSKTMTESFSFSSNVLS
UniProtP25103
Protein Data Bank2ksa, 6e59, 6hlo, 2ks9, 6hlp, 6hll, 2ksb
GPCR-HGmod modelP25103
3D structure modelThis structure is from PDB ID 2ksa.
BioLiPBL0101802, BL0437915, BL0437914, BL0437913, BL0434896, BL0101803, BL0101801
Therapeutic Target DatabaseT47094
ChEMBLCHEMBL249
IUPHAR360
DrugBankBE0000384

Ligand

NameCHEMBL317297
Molecular formulaC30H34N2O2
IUPAC name(9S)-9-benzhydryl-N-[(2-methoxyphenyl)methyl]-4-oxa-8-azatricyclo[5.3.1.03,8]undecan-10-amine
Molecular weight454.614
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.6
Synonyms(S)-((S)-9-Benzhydryl-4-oxa-8-aza-tricyclo[5.3.1.0*3,8*]undec-10-yl)-(2-methoxy-benzyl)-amine
BDBM50030237
Inchi KeyAIFZYHUGOXNZLJ-QCWLJUHMSA-N
Inchi IDInChI=1S/C30H34N2O2/c1-33-26-15-9-8-14-23(26)20-31-29-24-18-25-16-17-34-27(19-24)32(25)30(29)28(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,24-25,27-31H,16-20H2,1H3/t24?,25?,27?,29?,30-/m0/s1
PubChem CID44328424
ChEMBLCHEMBL317297
IUPHARN/A
BindingDB50030237
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC507.2 nMPMID7520943BindingDB,ChEMBL

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