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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

NameCHEMBL354756
Molecular formulaC32H36Cl2N4O6
IUPAC name1-[2-[(5R)-5-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-oxazolidin-5-yl]ethyl]-4-pyridin-2-ylpiperidine-4-carboxamide
Molecular weight643.562
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.8
Synonyms1-[2-[(5R)-3-(3,4,5-Trimethoxybenzoyl)-5-(3,4-dichlorophenyl)-5alpha-oxazolidinyl]ethyl]-4-(2-pyridinyl)piperidine-4-carboxamide
Inchi KeyFZNIBWHYEFRVEA-YTTGMZPUSA-N
Inchi IDInChI=1S/C32H36Cl2N4O6/c1-41-25-16-21(17-26(42-2)28(25)43-3)29(39)38-19-32(44-20-38,22-7-8-23(33)24(34)18-22)11-15-37-13-9-31(10-14-37,30(35)40)27-6-4-5-12-36-27/h4-8,12,16-18H,9-11,13-15,19-20H2,1-3H3,(H2,35,40)/t32-/m0/s1
PubChem CID44382270
ChEMBLCHEMBL354756
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition83.0 %PMID10206553ChEMBL

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