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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

NameNSC309874
Molecular formulaC26H23ClN2OS
IUPAC name3-chloro-N-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl]-1-benzothiophene-2-carboxamide
Molecular weight446.993
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.6
SynonymsMLS000757035
NSC-309874
AC1L73N5
CHEMBL1527622
SCHEMBL15537363
[ Show all ]
Inchi KeyACKAQJBYLPLIOW-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H23ClN2OS/c1-29-15-14-17-8-2-4-10-19(17)22(29)16-18-9-3-6-12-21(18)28-26(30)25-24(27)20-11-5-7-13-23(20)31-25/h2-13,22H,14-16H2,1H3,(H,28,30)
PubChem CID328910
ChEMBLCHEMBL1527622
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Potency12589.3 nMPubChem BioAssay data setChEMBL

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