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GPCR

NameSubstance-P receptor
SpeciesCavia porcellus (Guinea pig)
GeneTACR1
SynonymNK-1 receptor
NK-1R
SPR
Tachykinin receptor 1
DiseaseN/A for non-human GPCRs
Length407
Amino acid sequenceMDNVLPVDSDLFPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPGRVVCMIEWPSHPDKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAADYEGLEMKSTRYFQTQGSVYKVSRLETTISTVVGAHEEDPEEGPKATPSSLDLTSNGSSRSNSKTVTESSSFYSNMLS
UniProtP30547
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3942
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL543338
Molecular formulaC32H38ClN5O3
IUPAC nameN-[6-amino-1-[[(2R)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]-1H-indole-3-carboxamide;hydrochloride
Molecular weight576.138
Hydrogen bond acceptor4
Hydrogen bond donor5
XlogPNone
SynonymsN/A
Inchi KeyCCGKPZCLJBGZEN-CUZOEGLCSA-N
Inchi IDInChI=1S/C32H37N5O3.ClH/c1-37(22-24-14-6-3-7-15-24)32(40)29(20-23-12-4-2-5-13-23)36-31(39)28(18-10-11-19-33)35-30(38)26-21-34-27-17-9-8-16-25(26)27;/h2-9,12-17,21,28-29,34H,10-11,18-20,22,33H2,1H3,(H,35,38)(H,36,39);1H/t28?,29-;/m1./s1
PubChem CID45260546
ChEMBLCHEMBL543338
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
IC5014.0 nMPMID7518002ChEMBL
Inhibition91.0 %PMID7689652ChEMBL

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