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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

Name5-bromo-1H-indole-2,3-dione 3-[N-(4-hydroxyphenyl)thiosemicarbazone]
Molecular formulaC15H11BrN4O2S
IUPAC name1-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-(4-hydroxyphenyl)thiourea
Molecular weight391.243
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP4.3
Synonyms314275-20-2
AC1NUVFF
CBMicro_039272
MLS000673938
CHEMBL1467422
[ Show all ]
Inchi KeyACKCEYIVRXUHDK-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H11BrN4O2S/c16-8-1-6-12-11(7-8)13(14(22)18-12)19-20-15(23)17-9-2-4-10(21)5-3-9/h1-7,18,21-22H,(H,17,23)
PubChem CID1360178
ChEMBLCHEMBL1467422
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
Potency10000.0 nMPubChem BioAssay data setChEMBL

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