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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

NameAC1MD7KC
Molecular formulaC17H10ClF3N4O2S
IUPAC name2-[(2-chlorobenzoyl)amino]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
Molecular weight426.798
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.5
SynonymsMLS000851432
CHEMBL1499490
MolPort-002-897-919
HMS2806C07
ZINC1024727
[ Show all ]
Inchi KeyAHJBPPNJPAJRNX-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H10ClF3N4O2S/c18-11-7-3-1-5-9(11)13(26)22-12-8-4-2-6-10(12)14(27)23-16-25-24-15(28-16)17(19,20)21/h1-8H,(H,22,26)(H,23,25,27)
PubChem CID2806957
ChEMBLCHEMBL1499490
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
Potency5011.9 nMPubChem BioAssay data setChEMBL

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