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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

NameCHEMBL128723
Molecular formulaC36H34Cl2N4O2S
IUPAC name3,6-dicyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-[2-[(S)-methylsulfinyl]phenyl]piperidin-1-yl]butyl]-N-methylnaphthalene-1-carboxamide
Molecular weight657.654
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP6.8
SynonymsN/A
Inchi KeyBSSVREWDZWQWLT-UDKJZQBVSA-N
Inchi IDInChI=1S/C36H34Cl2N4O2S/c1-41(36(43)32-19-25(22-40)18-29-17-24(21-39)7-9-30(29)32)23-28(27-8-10-33(37)34(38)20-27)13-16-42-14-11-26(12-15-42)31-5-3-4-6-35(31)45(2)44/h3-10,17-20,26,28H,11-16,23H2,1-2H3/t28-,45+/m1/s1
PubChem CID11039595
ChEMBLCHEMBL128723
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
pKB6.42 -PMID12190319ChEMBL

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