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GPCR

NameSubstance-K receptor
SpeciesCavia porcellus (Guinea pig)
GeneTACR2
SynonymNeurokinin A receptor
NK-2 receptor
NK-2R
SKR
Tachykinin receptor 2
DiseaseN/A for non-human GPCRs
Length402
Amino acid sequenceMGACVIVTNTNISSGLESNTTGITAFSMPTWQLALWATAYLALVLVAVTGNATVTWIILAHQRMRTVTNYFIVNLALADLCMAAFNAAFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAIDRYMAIVHPFQPRLSAPSTKAVIGGIWLVALALAFPQCFYSTITEDEGATKCVVAWPEDSRDKSLLLYHLVVIVLIYLLPLTVMFVAYSIIGLTLWRRAVPRHQAHGANLRHLQAKKKFVKTMVLVVVTFAICWLPYHLYFILGSFQEDIYCHKFIQQVYLALFWLAMSSTMYNPIIYCCLNRRFRSGFRLAFRCCPWVTPTEEDKLELTHTPSFSLRVNRCHTKEILFMAGDTVPSEATNGQAGGPQDRESVELSSLPGCRAGPSILAKASS
UniProtQ64077
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2647
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL171725
Molecular formulaC34H38Cl2N2O6
IUPAC name1-[1-[2-[(5R)-5-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-oxazolidin-5-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone
Molecular weight641.586
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP5.7
Synonyms1-[2-[(5R)-3-(3,4,5-Trimethoxybenzoyl)-5-(3,4-dichlorophenyl)-5alpha-oxazolidinyl]ethyl]-4-phenyl-4-acetylpiperidine
Inchi KeyCZLBLDYEFUNFIL-UMSFTDKQSA-N
Inchi IDInChI=1S/C34H38Cl2N2O6/c1-23(39)33(25-8-6-5-7-9-25)12-15-37(16-13-33)17-14-34(26-10-11-27(35)28(36)20-26)21-38(22-44-34)32(40)24-18-29(41-2)31(43-4)30(19-24)42-3/h5-11,18-20H,12-17,21-22H2,1-4H3/t34-/m0/s1
PubChem CID44382268
ChEMBLCHEMBL171725
IUPHARN/A
BindingDBN/A
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
Inhibition57.0 %PMID10206553ChEMBL

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