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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

NameCHEMBL171381
Molecular formulaC31H35Cl2N3O6
IUPAC name[(5R)-5-(3,4-dichlorophenyl)-5-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethyl]-1,3-oxazolidin-3-yl]-(3,4,5-trimethoxyphenyl)methanone
Molecular weight616.536
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.1
Synonyms1-[2-[(5R)-3-(3,4,5-Trimethoxybenzoyl)-5-(3,4-dichlorophenyl)-5alpha-oxazolidinyl]ethyl]-4-(2-pyridinyl)-4-hydroxypiperidine
Inchi KeyGGHMYUMZXWTTQT-HKBQPEDESA-N
Inchi IDInChI=1S/C31H35Cl2N3O6/c1-39-25-16-21(17-26(40-2)28(25)41-3)29(37)36-19-31(42-20-36,22-7-8-23(32)24(33)18-22)11-15-35-13-9-30(38,10-14-35)27-6-4-5-12-34-27/h4-8,12,16-18,38H,9-11,13-15,19-20H2,1-3H3/t31-/m0/s1
PubChem CID44382158
ChEMBLCHEMBL171381
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition76.0 %PMID10206553ChEMBL

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