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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

NameCHEMBL169132
Molecular formulaC33H36F2N2O6S
IUPAC name[(5R)-5-(3,4-difluorophenyl)-5-[2-(2-oxospiro[1H-2-benzothiophene-3,4'-piperidine]-1'-yl)ethyl]-1,3-oxazolidin-3-yl]-(3,4,5-trimethoxyphenyl)methanone
Molecular weight626.716
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP3.7
SynonymsBDBM50217512
1'-[2-[(5R)-3-(3,4,5-Trimethoxybenzoyl)-5-(3,4-difluorophenyl)-5alpha-oxazolidinyl]ethyl]spiro[benzo[c]thiophene-1(3H),4'-piperidine]2-oxide
Inchi KeyIFGSPDNNHKRTOO-UJBMNDQASA-N
Inchi IDInChI=1S/C33H36F2N2O6S/c1-40-28-16-23(17-29(41-2)30(28)42-3)31(38)37-20-32(43-21-37,24-8-9-26(34)27(35)18-24)10-13-36-14-11-33(12-15-36)25-7-5-4-6-22(25)19-44(33)39/h4-9,16-18H,10-15,19-21H2,1-3H3/t32-,44?/m0/s1
PubChem CID44382713
ChEMBLCHEMBL169132
IUPHARN/A
BindingDB50217512
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC500.019 ug.mL-1PMID10206553ChEMBL
IC5019.0 nMPMID10206553BindingDB

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