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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

NameCHEMBL229032
Molecular formulaC25H25Cl2N5O7
IUPAC nameN-[(E,2R)-1-(3,4-dichlorophenyl)-5-oxo-5-[[(3R)-2-oxoazepan-3-yl]amino]pent-3-en-2-yl]-N-methyl-3,5-dinitrobenzamide
Molecular weight578.403
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.1
SynonymsN/A
Inchi KeyJHUKJMFMSFZCSW-KISUKSLOSA-N
Inchi IDInChI=1S/C25H25Cl2N5O7/c1-30(25(35)16-12-18(31(36)37)14-19(13-16)32(38)39)17(10-15-5-7-20(26)21(27)11-15)6-8-23(33)29-22-4-2-3-9-28-24(22)34/h5-8,11-14,17,22H,2-4,9-10H2,1H3,(H,28,34)(H,29,33)/b8-6+/t17-,22+/m0/s1
PubChem CID44426419
ChEMBLCHEMBL229032
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity96.1 %PMID17169559ChEMBL
pKb7.87 -PMID17169559ChEMBL

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