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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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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

NameSMR000127622
Molecular formulaC22H26N2O
IUPAC nameN-cyclohexyl-2-(2,3-dihydroindol-1-yl)-2-phenylacetamide
Molecular weight334.463
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.9
SynonymsBRD-A40232474-001-01-3
MCULE-6349474462
ChemDiv3_007731
N-cyclohexyl-2-(2,3-dihydro-1H-indol-1-yl)-2-phenylacetamide
AKOS001776903
[ Show all ]
Inchi KeyADZLVMLREIHPHR-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H26N2O/c25-22(23-19-12-5-2-6-13-19)21(18-10-3-1-4-11-18)24-16-15-17-9-7-8-14-20(17)24/h1,3-4,7-11,14,19,21H,2,5-6,12-13,15-16H2,(H,23,25)
PubChem CID3680932
ChEMBLCHEMBL1439195
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
Potency10000.0 nMPubChem BioAssay data setChEMBL

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