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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

NameCHEMBL353596
Molecular formulaC33H37ClN2O6S
IUPAC name[(5R)-5-(4-chlorophenyl)-5-[2-(2-oxospiro[1H-2-benzothiophene-3,4'-piperidine]-1'-yl)ethyl]-1,3-oxazolidin-3-yl]-(3,4,5-trimethoxyphenyl)methanone
Molecular weight625.177
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP4.2
Synonyms1'-[2-[(5R)-3-(3,4,5-Trimethoxybenzoyl)-5-(4-chlorophenyl)-5alpha-oxazolidinyl]ethyl]spiro[benzo[c]thiophene-1(3H),4'-piperidine]2-oxide
BDBM50217528
Inchi KeyHFTDAWJFAQMENN-HYXMPAGBSA-N
Inchi IDInChI=1S/C33H37ClN2O6S/c1-39-28-18-24(19-29(40-2)30(28)41-3)31(37)36-21-32(42-22-36,25-8-10-26(34)11-9-25)12-15-35-16-13-33(14-17-35)27-7-5-4-6-23(27)20-43(33)38/h4-11,18-19H,12-17,20-22H2,1-3H3/t32-,43?/m0/s1
PubChem CID44382092
ChEMBLCHEMBL353596
IUPHARN/A
BindingDB50217528
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC500.0069 ug.mL-1PMID10206553ChEMBL
IC506.9 nMPMID10206553BindingDB

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