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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

NameCHEMBL380510
Molecular formulaC30H32F6N4O
IUPAC name2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[3-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-2-yl]propanamide
Molecular weight578.603
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP7.1
SynonymsBDBM50178582
2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-(6-(4-methylpiperazin-1-yl)-3-o-tolylpyridin-2-yl)propanamide
Inchi KeyANPYOUVKUYVENR-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-10-11-25(40-14-12-38(4)13-15-40)37-26(24)39(5)27(41)28(2,3)20-16-21(29(31,32)33)18-22(17-20)30(34,35)36/h6-11,16-18H,12-15H2,1-5H3
PubChem CID44409023
ChEMBLCHEMBL380510
IUPHARN/A
BindingDB50178582
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
Ki2.0 nMPMID16332435BindingDB,ChEMBL

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