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GPCR

NameSubstance-K receptor
SpeciesOryctolagus cuniculus (Rabbit)
GeneTACR2
SynonymNeurokinin A receptor
NK-2 receptor
NK-2R
SKR
Tachykinin receptor 2
DiseaseN/A for non-human GPCRs
Length384
Amino acid sequenceMGACDIVTEANISSDIDSNATGVTAFSMPGWQLALWATAYLALVLVAVVGNATVIWIILAHRRMRTVTNYFIVNLALADLCMATFNAAFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSGPGTKAVIAGIWLVALALAFPQCFYSTITMDQGATKCVVAWPEDSGGKMLLLYHLTVIALIYFLPLVVMFVAYSVIGFKLWRRTVPGHQTHGANLRHLRAKKKFVKTMVLVVVTFAVCWLPYHLYFLLGHFQDDIYCRKFIQQVYLVLFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDKLELTHTPSLSVRVNRCHTKETLFLVGDVAPSEAANGQAGGPQDGGAYDF
UniProtP79218
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3433
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL389459
Molecular formulaC37H42N6O5
IUPAC name(2S,5S,8R,12R)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-12-morpholin-4-yl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone
Molecular weight650.78
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP3.1
SynonymsMEN-11995
Inchi KeyJLJWVVBVFWSHGR-KYXYXWHUSA-N
Inchi IDInChI=1S/C37H42N6O5/c44-34-22-33(43-15-17-48-18-16-43)37(47)39-24-28(19-25-9-3-1-4-10-25)40-35(45)31(20-26-11-5-2-6-12-26)42-36(46)32(41-34)21-27-23-38-30-14-8-7-13-29(27)30/h1-14,23,28,31-33,38H,15-22,24H2,(H,39,47)(H,40,45)(H,41,44)(H,42,46)/t28-,31+,32+,33-/m1/s1
PubChem CID10326920
ChEMBLCHEMBL389459
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
pKb8.9 -PMID15615542ChEMBL

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