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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

NameCHEMBL168144
Molecular formulaC34H40Cl4N6O3
IUPAC name3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-2-(2-imidazol-1-ylethoxyimino)-5-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]pentyl]-N-methylbenzamide
Molecular weight722.533
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP6.4
SynonymsBDBM50110649
3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-[(Z)-2-imidazol-1-yl-ethoxyimino]-5-(2-oxo-[1,4'']bipiperidinyl-1''-yl)-pentyl]-N-methyl-benzamide
Inchi KeyAOHIJPJMMHXDHP-GGPBTZDJSA-N
Inchi IDInChI=1S/C34H40Cl4N6O3/c1-41(34(46)25-18-26(35)21-27(36)19-25)22-32(40-47-17-16-43-15-10-39-23-43)29(24-5-6-30(37)31(38)20-24)9-14-42-12-7-28(8-13-42)44-11-3-2-4-33(44)45/h5-6,10,15,18-21,23,28-29H,2-4,7-9,11-14,16-17,22H2,1H3/b40-32+
PubChem CID44380248
ChEMBLCHEMBL168144
IUPHARN/A
BindingDB50110649
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki2.8 nMPMID11859013BindingDB,ChEMBL

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