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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

NameCHEMBL352615
Molecular formulaC34H39Cl2N3O7S
IUPAC name[(5R)-5-(3,4-dichlorophenyl)-5-[2-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethyl]-1,3-oxazolidin-3-yl]-(3,4,5-trimethoxyphenyl)methanone
Molecular weight704.66
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP5.2
Synonyms1-Mesyl-1'-[2-[(5R)-3-(3,4,5-trimethoxybenzoyl)-5-(3,4-dichlorophenyl)-5alpha-oxazolidinyl]ethyl]spiro[indoline-3,4'-piperidine]
Inchi KeyGVMXWDPIBITJQM-UMSFTDKQSA-N
Inchi IDInChI=1S/C34H39Cl2N3O7S/c1-43-29-17-23(18-30(44-2)31(29)45-3)32(40)38-21-34(46-22-38,24-9-10-26(35)27(36)19-24)13-16-37-14-11-33(12-15-37)20-39(47(4,41)42)28-8-6-5-7-25(28)33/h5-10,17-19H,11-16,20-22H2,1-4H3/t34-/m0/s1
PubChem CID44382024
ChEMBLCHEMBL352615
IUPHARN/A
BindingDBN/A
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
Inhibition91.0 %PMID10206553ChEMBL

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