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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

NameCHEMBL171876
Molecular formulaC31H35Cl2N3O6S
IUPAC name1-[2-[(5R)-5-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)sulfonyl-1,3-oxazolidin-5-yl]ethyl]-4-phenylpiperidine-4-carboxamide
Molecular weight648.596
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.6
Synonyms1-[2-[(5R)-3-(3,4-Dimethoxyphenylsulfonyl)-5-(3,4-dichlorophenyl)-5alpha-oxazolidinyl]ethyl]-4-phenylpiperidine-4-carboxamide
Inchi KeyCIGDZVUCQNHNCD-HKBQPEDESA-N
Inchi IDInChI=1S/C31H35Cl2N3O6S/c1-40-27-11-9-24(19-28(27)41-2)43(38,39)36-20-31(42-21-36,23-8-10-25(32)26(33)18-23)14-17-35-15-12-30(13-16-35,29(34)37)22-6-4-3-5-7-22/h3-11,18-19H,12-17,20-21H2,1-2H3,(H2,34,37)/t31-/m0/s1
PubChem CID44382012
ChEMBLCHEMBL171876
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition10.0 %PMID10206553ChEMBL

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