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GPCR

NameNeuropeptide S receptor
SpeciesHomo sapiens (Human)
GeneNPSR1
SynonymG-protein coupled receptor for asthma susceptibility
vasopressin receptor-related receptor 1
G protein-coupled receptor 154
PGR14
NPS receptor
[ 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

NameAC1MGWUV
Molecular formulaC22H21NOS
IUPAC name2-benzylsulfanyl-N-(2-phenylphenyl)propanamide
Molecular weight347.476
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.6
Synonyms2-(benzylsulfanyl)-N-[1,1'-biphenyl]-2-ylpropanamide
CHEMBL1505456
MLS000578915
AKOS025270427
STL221913
[ Show all ]
Inchi KeyACAYCMLVJGOTJK-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H21NOS/c1-17(25-16-18-10-4-2-5-11-18)22(24)23-21-15-9-8-14-20(21)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H,23,24)
PubChem CID2942740
ChEMBLCHEMBL1505456
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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