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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

NameAC1MHCQD
Molecular formulaC25H24N2O5
IUPAC name4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
Molecular weight432.476
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.1
SynonymsCHEMBL1323117
MolPort-000-452-758
HMS2350C04
AKOS002182863
AKOS016297389
[ Show all ]
Inchi KeyAGCULGAKHCAUSH-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H24N2O5/c1-3-13-31-19-9-7-18(8-10-19)22-21(23(28)20-11-6-16(2)32-20)24(29)25(30)27(22)15-17-5-4-12-26-14-17/h4-12,14,22,29H,3,13,15H2,1-2H3
PubChem CID2949891
ChEMBLCHEMBL1323117
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
Potency25118.9 nMPubChem BioAssay data setChEMBL

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