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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

NameCHEMBL129117
Molecular formulaC35H35Cl2N3O3S
IUPAC name3-cyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-[2-[(S)-methylsulfinyl]phenyl]piperidin-1-yl]butyl]-6-hydroxy-N-methylnaphthalene-1-carboxamide
Molecular weight648.643
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.8
SynonymsN/A
Inchi KeyIPBZQWXSDJUPGF-RQWLYIOSSA-N
Inchi IDInChI=1S/C35H35Cl2N3O3S/c1-39(35(42)31-18-23(21-38)17-27-19-28(41)8-9-29(27)31)22-26(25-7-10-32(36)33(37)20-25)13-16-40-14-11-24(12-15-40)30-5-3-4-6-34(30)44(2)43/h3-10,17-20,24,26,41H,11-16,22H2,1-2H3/t26-,44+/m1/s1
PubChem CID11017711
ChEMBLCHEMBL129117
IUPHARN/A
BindingDBN/A
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
pKB7.31 -PMID12190319ChEMBL

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