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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

NameCHEMBL171704
Molecular formulaC34H37Cl2N3O6
IUPAC name1'-[2-[(5R)-5-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-oxazolidin-5-yl]ethyl]-1-methylspiro[indole-3,4'-piperidine]-2-one
Molecular weight654.585
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP5.1
SynonymsBDBM50217507
1-Methyl-1'-[2-[(5R)-3-(3,4,5-trimethoxybenzoyl)-5-(3,4-dichlorophenyl)-5alpha-oxazolidinyl]ethyl]spiro[indoline-3,4'-piperidine]-2-one
Inchi KeyDVJSFTVGIFGECU-UMSFTDKQSA-N
Inchi IDInChI=1S/C34H37Cl2N3O6/c1-37-27-8-6-5-7-24(27)33(32(37)41)11-14-38(15-12-33)16-13-34(23-9-10-25(35)26(36)19-23)20-39(21-45-34)31(40)22-17-28(42-2)30(44-4)29(18-22)43-3/h5-10,17-19H,11-16,20-21H2,1-4H3/t34-/m0/s1
PubChem CID44382154
ChEMBLCHEMBL171704
IUPHARN/A
BindingDB50217507
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
IC500.034 ug.mL-1PMID10206553ChEMBL
IC5034.0 nMPMID10206553BindingDB

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