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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

NameCHEMBL137972
Molecular formulaC29H41N3O2
IUPAC name2-(3,5-dimethylphenyl)-N-[2-(2-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]acetamide
Molecular weight463.666
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50094148
N-[2-[1,4'']Bipiperidinyl-1''-yl-2-(2-methoxy-phenyl)-ethyl]-2-(3,5-dimethyl-phenyl)-acetamide
SCHEMBL7934798
Inchi KeyAHBIGSLRJOQGEQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H41N3O2/c1-22-17-23(2)19-24(18-22)20-29(33)30-21-27(26-9-5-6-10-28(26)34-3)32-15-11-25(12-16-32)31-13-7-4-8-14-31/h5-6,9-10,17-19,25,27H,4,7-8,11-16,20-21H2,1-3H3,(H,30,33)
PubChem CID21994329
ChEMBLCHEMBL137972
IUPHARN/A
BindingDB50094148
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5061.0 nMPMID11087566BindingDB,ChEMBL

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