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GPCR

NameSubstance-K receptor
SpeciesMus musculus (Mouse)
GeneTacr2
SynonymTAC2R
Substance K receptor
SP-E receptor
SKR
NKNAR
[ Show all ]
DiseaseN/A for non-human GPCRs
Length384
Amino acid sequenceMGAHASVTDTNILSGLESNATGVTAFSMPGWQLALWATAYLALVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFIYASHNIWYFGSTFCYFQNLFPVTAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPSTKAVIAVIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLIYFLPLVVMFAAYSVIGLTLWKRAVPRHQAHGANLRHLQAKKKFVKAMVLVVVTFAICWLPYHLYFILGTFQEDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWGTPTEEDRLELTHTPSISRRVNRCHTKETLFMTGDMTHSEATNGQVGGPQDGEPAGP
UniProtP30549
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2813
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL315982
Molecular formulaC35H41Cl2N3O6
IUPAC name1-[2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-(3-methoxyphenyl)piperidine-4-carboxamide
Molecular weight670.628
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.7
SynonymsBDBM50290314
SCHEMBL8355448
1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-(3-methoxy-phenyl)-piperidine-4-carboxylic acid amide
XCIPVUSGRRXKLG-UHFFFAOYSA-N
1-[2-[3-(3,4-dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-(3-methoxy-phenyl)-piperidine-4-carboxylic acid amide
Inchi KeyXCIPVUSGRRXKLG-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H41Cl2N3O6/c1-43-26-7-5-6-25(20-26)35(33(38)42)12-15-39(16-13-35)14-10-34(24-8-9-27(36)28(37)21-24)11-17-40(22-34)32(41)23-18-29(44-2)31(46-4)30(19-23)45-3/h5-9,18-21H,10-17,22H2,1-4H3,(H2,38,42)
PubChem CID44319223
ChEMBLCHEMBL315982
IUPHARN/A
BindingDB50290314
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
IC5017.0 nMN/ABindingDB
IC5017.1 nMBioorg. Med. Chem. Lett., (1997) 7:19:2531ChEMBL

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