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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

NameCHEMBL223644
Molecular formulaC37H43N7O4
IUPAC name(2S,5S,8R,12R)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-12-piperazin-1-yl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone
Molecular weight649.796
Hydrogen bond acceptor6
Hydrogen bond donor6
XlogP2.8
SynonymsN/A
Inchi KeyDETYPVYSWRSMQR-KYXYXWHUSA-N
Inchi IDInChI=1S/C37H43N7O4/c45-34-22-33(44-17-15-38-16-18-44)37(48)40-24-28(19-25-9-3-1-4-10-25)41-35(46)31(20-26-11-5-2-6-12-26)43-36(47)32(42-34)21-27-23-39-30-14-8-7-13-29(27)30/h1-14,23,28,31-33,38-39H,15-22,24H2,(H,40,48)(H,41,46)(H,42,45)(H,43,47)/t28-,31+,32+,33-/m1/s1
PubChem CID11491576
ChEMBLCHEMBL223644
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
pKb7.7 -PMID15615542ChEMBL

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