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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

NameMLS000559294
Molecular formulaC21H14N2O2S2
IUPAC name2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenothiazin-10-ylethanone
Molecular weight390.475
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP5.4
Synonyms2-(Benzooxazol-2-ylsulfanyl)-1-phenothiazin-10-yl-ethanone
SMR000176188
10-[(1,3-Benzoxazol-2-ylthio)acetyl]-10H-phenothiazine
2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenothiazin-10-ylethanone
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(10H-phenothiazin-10-yl)ethanone
[ Show all ]
Inchi KeyABKHXRBPKKSBDC-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H14N2O2S2/c24-20(13-26-21-22-14-7-1-4-10-17(14)25-21)23-15-8-2-5-11-18(15)27-19-12-6-3-9-16(19)23/h1-12H,13H2
PubChem CID1035430
ChEMBLCHEMBL1534620
IUPHARN/A
BindingDB61050
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Potency10000.0 nMPubChem BioAssay data setChEMBL

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