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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

NameAC1LLNFY
Molecular formulaC21H16N2O2S2
IUPAC name2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
Molecular weight392.491
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP5.2
SynonymsSMR000196798
Cambridge id 6950477
Oprea1_857400
MLS000575762
CHEMBL1499477
[ Show all ]
Inchi KeyACCPBDSGHDRJJU-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H16N2O2S2/c1-14-11-12-19(27-14)18(24)13-26-21-22-17-10-6-5-9-16(17)20(25)23(21)15-7-3-2-4-8-15/h2-12H,13H2,1H3
PubChem CID1070244
ChEMBLCHEMBL1499477
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Potency25118.9 nMPubChem BioAssay data setChEMBL

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