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GPCR

NameNeuropeptide S receptor
SpeciesHomo sapiens (Human)
GeneNPSR1
SynonymNPS receptor
PGR14
GPR154
G-protein coupled receptor PGR14
G-protein coupled receptor for asthma susceptibility
[ 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

NameSMR000151229
Molecular formulaC26H32N4O2
IUPAC nameN-[[3-[(2,3-dihydroindole-1-carbonylamino)methyl]cyclohexyl]methyl]-2,3-dihydroindole-1-carboxamide
Molecular weight432.568
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP4.0
SynonymsMLS000572131
AC1N1MAR
MLS002634270
CHEMBL1308130
MolPort-004-029-970
[ Show all ]
Inchi KeyADQOQDWLPPQSFQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H32N4O2/c31-25(29-14-12-21-8-1-3-10-23(21)29)27-17-19-6-5-7-20(16-19)18-28-26(32)30-15-13-22-9-2-4-11-24(22)30/h1-4,8-11,19-20H,5-7,12-18H2,(H,27,31)(H,28,32)
PubChem CID4032625
ChEMBLCHEMBL1308130
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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