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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

NameMLS000325386
Molecular formulaC17H13BrClN5O4
IUPAC nameN-[(Z)-(3-bromophenyl)methylideneamino]-5-[(4-chloro-5-methyl-3-nitropyrazol-1-yl)methyl]furan-2-carboxamide
Molecular weight466.676
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.1
SynonymsN'-(3-bromobenzylidene)-5-({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}methyl)-2-furohydrazide
SMR000159511
AC1NTKDQ
CHEMBL3198312
MolPort-002-820-013
[ Show all ]
Inchi KeyABCXJIGKWRYVEV-ZBKNUEDVSA-N
Inchi IDInChI=1S/C17H13BrClN5O4/c1-10-15(19)16(24(26)27)22-23(10)9-13-5-6-14(28-13)17(25)21-20-8-11-3-2-4-12(18)7-11/h2-8H,9H2,1H3,(H,21,25)/b20-8-
PubChem CID5431585
ChEMBLCHEMBL3198312
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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