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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

NameCHEMBL236661
Molecular formulaC31H40N4O3S
IUPAC nameN-[1-[[1-(6-aminohexylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclohexyl]-1-benzothiophene-2-carboxamide
Molecular weight548.746
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP5.3
SynonymsBDBM50002998
Inchi KeyADGHQEZPCIXCCY-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H40N4O3S/c32-19-11-1-2-12-20-33-28(36)25(21-23-13-5-3-6-14-23)34-30(38)31(17-9-4-10-18-31)35-29(37)27-22-24-15-7-8-16-26(24)39-27/h3,5-8,13-16,22,25H,1-2,4,9-12,17-21,32H2,(H,33,36)(H,34,38)(H,35,37)
PubChem CID44434177
ChEMBLCHEMBL236661
IUPHARN/A
BindingDB50002998
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
Ki>1000.0 nMPMID17604625BindingDB,ChEMBL

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