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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

NameAC1LXTED
Molecular formulaC19H11NO4S2
IUPAC name(5Z)-5-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
Molecular weight381.42
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.8
SynonymsMLS000332025
CHEMBL1610416
BDBM84390
cid_1857878
MolPort-002-640-983
[ Show all ]
Inchi KeyADTOQDFJFAQTAP-PXNMLYILSA-N
Inchi IDInChI=1S/C19H11NO4S2/c21-13-6-7-15-14(9-13)17(22)11(10-24-15)8-16-18(23)20(19(25)26-16)12-4-2-1-3-5-12/h1-10,21H/b16-8-
PubChem CID1857878
ChEMBLCHEMBL1610416
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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