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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

NameCHEMBL353480
Molecular formulaC33H37Cl2N3O6
IUPAC name1-[4-[4-[2-[(5R)-5-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-oxazolidin-5-yl]ethyl]piperazin-1-yl]phenyl]ethanone
Molecular weight642.574
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP5.3
SynonymsBDBM50217518
1-[2-[(5R)-3-(3,4,5-Trimethoxybenzoyl)-5-(3,4-dichlorophenyl)-5alpha-oxazolidinyl]ethyl]-4-(4-acetylphenyl)piperazine
Inchi KeyCRTJVWSMULCYJN-XIFFEERXSA-N
Inchi IDInChI=1S/C33H37Cl2N3O6/c1-22(39)23-5-8-26(9-6-23)37-15-13-36(14-16-37)12-11-33(25-7-10-27(34)28(35)19-25)20-38(21-44-33)32(40)24-17-29(41-2)31(43-4)30(18-24)42-3/h5-10,17-19H,11-16,20-21H2,1-4H3/t33-/m0/s1
PubChem CID44382141
ChEMBLCHEMBL353480
IUPHARN/A
BindingDB50217518
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC500.074 ug.mL-1PMID10206553ChEMBL
IC5074.0 nMPMID10206553BindingDB

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