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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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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

NameAC1NY53V
Molecular formulaC18H15N3O3
IUPAC name2-[3-[(Z)-2-nitroethenyl]indol-1-yl]-N-phenylacetamide
Molecular weight321.336
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.3
Synonyms2-{3-[(Z)-2-nitroethenyl]-1H-indol-1-yl}-N-phenylacetamide
MolPort-001-971-680
BAS 02050098
STK208795
2-[3-((Z)-2-Nitro-vinyl)-indol-1-yl]-N-phenyl-acetamide
[ Show all ]
Inchi KeyADXBIMIKLYJREK-KHPPLWFESA-N
Inchi IDInChI=1S/C18H15N3O3/c22-18(19-15-6-2-1-3-7-15)13-20-12-14(10-11-21(23)24)16-8-4-5-9-17(16)20/h1-12H,13H2,(H,19,22)/b11-10-
PubChem CID5765586
ChEMBLCHEMBL1568934
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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