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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

NameCHEMBL21939
Molecular formulaC35H35N3O2
IUPAC name1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[5-methyl-2-(4-phenylphenyl)-1H-indol-3-yl]propan-1-one
Molecular weight529.684
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP7.0
Synonyms3-(2-Biphenyl-4-yl-5-methyl-1H-indol-3-yl)-1-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propan-1-one
ACJFETYSCBTCMR-UHFFFAOYSA-N
4-(2-Methoxyphenyl)-1-{3-[5-methyl-2-(4-phenylphenyl)-1H-indol-3-yl]-1-oxopropyl}piperazine
BDBM50099553
1-[4-(2-Methoxyphenyl)piperazino]-3-[2-(4-biphenylyl)-5-methyl-1H-indole-3-yl]-1-propanone
[ Show all ]
Inchi KeyACJFETYSCBTCMR-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H35N3O2/c1-25-12-18-31-30(24-25)29(35(36-31)28-15-13-27(14-16-28)26-8-4-3-5-9-26)17-19-34(39)38-22-20-37(21-23-38)32-10-6-7-11-33(32)40-2/h3-16,18,24,36H,17,19-23H2,1-2H3
PubChem CID18669085
ChEMBLCHEMBL21939
IUPHARN/A
BindingDB50099553
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
IC507.6 nMPMID11354385BindingDB,ChEMBL

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