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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

NameGR-159897
Molecular formulaC23H27FN2O2S
IUPAC name5-fluoro-3-[2-[4-methoxy-4-[[(R)-phenylsulfinyl]methyl]piperidin-1-yl]ethyl]-1H-indole
Molecular weight414.539
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.4
Synonyms(R)-5-Fluoro-3-(2-(4-methoxy-4-((phenylsulfinyl)methyl)piperidin-1-yl)ethyl)-1H-indole
GR 159897
SR-01000597395-1
BDBM50212987
GTPL2115
[ Show all ]
Inchi KeyBANYJBHWTOJQDU-GDLZYMKVSA-N
Inchi IDInChI=1S/C23H27FN2O2S/c1-28-23(17-29(27)20-5-3-2-4-6-20)10-13-26(14-11-23)12-9-18-16-25-22-8-7-19(24)15-21(18)22/h2-8,15-16,25H,9-14,17H2,1H3/t29-/m1/s1
PubChem CID9953599
ChEMBLCHEMBL2110370
IUPHAR2115
BindingDB50212987
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
pKB9.7 -Bioorg. Med. Chem. Lett., (1994) 4:16:1951ChEMBL

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