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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

NameMLS000572570
Molecular formulaC15H15ClN4O
IUPAC name2-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
Molecular weight302.762
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.6
Synonyms2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
MolPort-009-668-301
SMR000194069
AKOS001152689
N''-[(E)-{4-[(2-chlorobenzyl)oxy]phenyl}methylidene]carbonohydrazonic diamide
[ Show all ]
Inchi KeyABHCKRUQSBLDMN-DJKKODMXSA-N
Inchi IDInChI=1S/C15H15ClN4O/c16-14-4-2-1-3-12(14)10-21-13-7-5-11(6-8-13)9-19-20-15(17)18/h1-9H,10H2,(H4,17,18,20)/b19-9+
PubChem CID9586311
ChEMBLCHEMBL2369168
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
Potency3162.3 nMPubChem BioAssay data setChEMBL

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