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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

NameCHEMBL354183
Molecular formulaC33H36Cl2N2O6
IUPAC name[(5R)-5-(3,4-dichlorophenyl)-5-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)-1,3-oxazolidin-3-yl]-(3,4,5-trimethoxyphenyl)methanone
Molecular weight627.559
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP5.3
Synonyms1-[2-[(5R)-3-(3,4,5-Trimethoxybenzoyl)-5-(3,4-dichlorophenyl)-5alpha-oxazolidinyl]ethyl]spiro[piperidine-4,1'(3'H)-isobenzofuran]
Inchi KeyFCBBIBBWMCTBQW-XIFFEERXSA-N
Inchi IDInChI=1S/C33H36Cl2N2O6/c1-39-28-16-23(17-29(40-2)30(28)41-3)31(38)37-20-33(43-21-37,24-8-9-26(34)27(35)18-24)12-15-36-13-10-32(11-14-36)25-7-5-4-6-22(25)19-42-32/h4-9,16-18H,10-15,19-21H2,1-3H3/t33-/m0/s1
PubChem CID44382007
ChEMBLCHEMBL354183
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
Inhibition91.0 %PMID10206553ChEMBL

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