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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

NameEnamine_005764
Molecular formulaC23H21N3O2S
IUPAC nameN-benzyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
Molecular weight403.5
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.5
SynonymsAC1M5U1T
MCULE-8270384234
CHEMBL1432530
N-benzyl-N-(2-hydroxyethyl)-1-phenyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
HMS2342G24
[ Show all ]
Inchi KeyAGFZURJKVLBPDF-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H21N3O2S/c27-14-13-25(16-18-8-3-1-4-9-18)23(28)20-17-26(19-10-5-2-6-11-19)24-22(20)21-12-7-15-29-21/h1-12,15,17,27H,13-14,16H2
PubChem CID2336056
ChEMBLCHEMBL1432530
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
Potency19952.6 nMPubChem BioAssay data setChEMBL

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