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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

NameCHEMBL361596
Molecular formulaC33H34F6N4O2
IUPAC name5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-7-phenyl-9-(4-pyrrolidin-1-ylpiperidin-1-yl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
Molecular weight632.651
Hydrogen bond acceptor11
Hydrogen bond donor0
XlogP7.2
SynonymsSCHEMBL6093672
AFBDOVSBEISTQY-UHFFFAOYSA-N
5-[3,5-bis(trifluoromethyl)benzyl]-6-oxo-7-phenyl-9-[4-(pyrrolidine-1-yl)piperidine-1-yl]-2,3,4,5-tetrahydro-6H-pyrido[2,3-b][1,5]oxazocine
Inchi KeyAFBDOVSBEISTQY-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H34F6N4O2/c34-32(35,36)24-17-22(18-25(19-24)33(37,38)39)21-43-13-6-16-45-30-29(31(43)44)27(23-7-2-1-3-8-23)20-28(40-30)42-14-9-26(10-15-42)41-11-4-5-12-41/h1-3,7-8,17-20,26H,4-6,9-16,21H2
PubChem CID10290137
ChEMBLCHEMBL361596
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Kb0.224 nMPMID15713411ChEMBL

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