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GPCR

NameNeuropeptide S receptor
SpeciesHomo sapiens (Human)
GeneNPSR1
SynonymG-protein coupled receptor for asthma susceptibility
vasopressin receptor-related receptor 1
G protein-coupled receptor 154
PGR14
NPS receptor
[ Show all ]
DiseaseNeurological disease
Length371
Amino acid sequenceMPANFTEGSFDSSGTGQTLDSSPVACTETVTFTEVVEGKEWGSFYYSFKTEQLITLWVLFVFTIVGNSVVLFSTWRRKKKSRMTFFVTQLAITDSFTGLVNILTDINWRFTGDFTAPDLVCRVVRYLQVVLLYASTYVLVSLSIDRYHAIVYPMKFLQGEKQARVLIVIAWSLSFLFSIPTLIIFGKRTLSNGEVQCWALWPDDSYWTPYMTIVAFLVYFIPLTIISIMYGIVIRTIWIKSKTYETVISNCSDGKLCSSYNRGLISKAKIKAIKYSIIIILAFICCWSPYFLFDILDNFNLLPDTQERFYASVIIQNLPALNSAINPLIYCVFSSSISFPCREQRSQDSRMTFRERTERHEMQILSKPEFI
UniProtQ6W5P4
Protein Data BankN/A
GPCR-HGmod modelQ6W5P4
3D structure modelThis predicted structure model is from GPCR-EXP Q6W5P4.
BioLiPN/A
Therapeutic Target DatabaseT20958
ChEMBLCHEMBL5162
IUPHAR302
DrugBankBE0000948

Ligand

NameAC1NE6QE
Molecular formulaC15H11Cl3N2O
IUPAC name2,2-dichloro-N-(4-chloropyridin-2-yl)-1-phenylcyclopropane-1-carboxamide
Molecular weight341.616
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.7
SynonymsSMR000431415
CHEMBL1340691
2,2-dichloro-N-(4-chloropyridin-2-yl)-1-phenylcyclopropanecarboxamide
MLS000768068
AKOS005476597
[ Show all ]
Inchi KeyACXBEPYLGCXLKV-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H11Cl3N2O/c16-11-6-7-19-12(8-11)20-13(21)14(9-15(14,17)18)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20,21)
PubChem CID4587396
ChEMBLCHEMBL1340691
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Potency12589.3 nMPubChem BioAssay data setChEMBL

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