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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

NameCHEMBL57589
Molecular formulaC27H34Cl2N2O3
IUPAC name2-[1-[4-[benzoyl(methyl)amino]-3-(3,4-dichlorophenyl)butyl]piperidin-4-yl]ethyl acetate
Molecular weight505.48
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.8
SynonymsAcetic acid 2-{1-[4-(benzoyl-methyl-amino)-3-(3,4-dichloro-phenyl)-butyl]-piperidin-4-yl}-ethyl ester
BDBM50071113
Inchi KeyABDVJDWAZPTZIF-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H34Cl2N2O3/c1-20(32)34-17-13-21-10-14-31(15-11-21)16-12-24(23-8-9-25(28)26(29)18-23)19-30(2)27(33)22-6-4-3-5-7-22/h3-9,18,21,24H,10-17,19H2,1-2H3
PubChem CID22405761
ChEMBLCHEMBL57589
IUPHARN/A
BindingDB50071113
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
pKB7.8 -PMID9873462ChEMBL

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