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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

NameCHEMBL540553
Molecular formulaC38H45Cl2N3O6
IUPAC name[(3R)-3-(3,4-dichlorophenyl)-3-[2-[4-(morpholine-4-carbonyl)-4-phenylpiperidin-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
Molecular weight710.693
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP5.9
SynonymsCHEMBL1190281
(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-phenyl-piperidin-4-yl)-morpholin-4-yl-methanone; hydrochloride
BDBM50290298
(3R)-3-(3,4-Dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)-3-[2-[4-phenyl-4-(morpholinocarbonyl)piperidin-1-yl]ethyl]pyrrolidine
Inchi KeyQNQBWJMVOBQXKB-QNGWXLTQSA-N
Inchi IDInChI=1S/C38H45Cl2N3O6/c1-46-32-23-27(24-33(47-2)34(32)48-3)35(44)43-18-12-37(26-43,29-9-10-30(39)31(40)25-29)11-15-41-16-13-38(14-17-41,28-7-5-4-6-8-28)36(45)42-19-21-49-22-20-42/h4-10,23-25H,11-22,26H2,1-3H3/t37-/m0/s1
PubChem CID9853506
ChEMBLN/A
IUPHARN/A
BindingDB50290298
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
IC502.1 nMN/ABindingDB

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