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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

NameCHEMBL171414
Molecular formulaC31H33Cl2N3O4
IUPAC name1-[2-[(5R)-5-(3,4-dichlorophenyl)-3-(4-methoxybenzoyl)-1,3-oxazolidin-5-yl]ethyl]-4-phenylpiperidine-4-carboxamide
Molecular weight582.522
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.9
SynonymsBDBM50217525
1-[2-[(5R)-3-(4-Methoxybenzoyl)-5-(3,4-dichlorophenyl)-5alpha-oxazolidinyl]ethyl]-4-phenylpiperidine-4-carboxamide
Inchi KeyIPTNDKOUHSQINA-HKBQPEDESA-N
Inchi IDInChI=1S/C31H33Cl2N3O4/c1-39-25-10-7-22(8-11-25)28(37)36-20-31(40-21-36,24-9-12-26(32)27(33)19-24)15-18-35-16-13-30(14-17-35,29(34)38)23-5-3-2-4-6-23/h2-12,19H,13-18,20-21H2,1H3,(H2,34,38)/t31-/m0/s1
PubChem CID44382097
ChEMBLCHEMBL171414
IUPHARN/A
BindingDB50217525
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC500.17 ug.mL-1PMID10206553ChEMBL
IC50170.0 nMPMID10206553BindingDB

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