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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

NameAC1NKK02
Molecular formulaC25H28ClN5O2S
IUPAC name14-(3-chlorophenyl)-15-[2-(dimethylamino)ethylamino]-4,4,8-trimethyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12(17),15-pentaen-13-one
Molecular weight498.042
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.2
SynonymsMLS000758887
CHEMBL1606167
MolPort-002-641-254
HMS2795M18
STK572023
[ Show all ]
Inchi KeyADXARCXDEYSJEG-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H28ClN5O2S/c1-14-18-13-33-25(2,3)12-17(18)19-20-21(34-22(19)28-14)23(32)31(16-8-6-7-15(26)11-16)24(29-20)27-9-10-30(4)5/h6-8,11H,9-10,12-13H2,1-5H3,(H,27,29)
PubChem CID4889414
ChEMBLCHEMBL1606167
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
Potency1584.9 nMPubChem BioAssay data setChEMBL
Potency8912.5 nMPubChem BioAssay data setChEMBL

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