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GPCR

NameNeuropeptides B/W receptor type 1
SpeciesMus musculus (Mouse)
GeneNpbwr1
SynonymG protein-coupled receptor 7
G-protein coupled receptor 7
GPR7
neuropeptides B/W receptor type 1
NPBW1 receptor
DiseaseN/A for non-human GPCRs
Length329
Amino acid sequenceMHNLTLFESGGDNVSCGGSSLGCPNGSSLAPLPLPQPLAVAVPVVYGVICAVGLAGNSAVLYVLLRTPRMKTVTNVFILNLAIADELFTLVLPINIADFLLRRWPFGEVMCKLIVAVDQYNTFSSLYFLAVMSADRYLVVLATAESRRVSGRTYGAARAVSLAVWALVTLVVLPFAVFARLDEEQGRRQCVLVFPQPEAFWWRASRLYTLVLGFAIPVTTICALYTTLLCRLRAIQLDSHAKALDRAKKRVTLLVAAILAVCLLCWTPYHLSTIVALTTDLPQTPLVIGISYFITSLSYANSCLNPFLYAFLDDSFRRSLRQLVSCRSA
UniProtP49681
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1938219
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL1940356
Molecular formulaC29H36N4O2S
IUPAC name[(1S,2S,4R)-4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-thiophen-3-ylcyclohexyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
Molecular weight504.693
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50362448
Inchi KeyLWPKSWPTIIGBGQ-UFLJZRJVSA-N
Inchi IDInChI=1S/C29H36N4O2S/c1-21(22-6-9-25(35-2)10-7-22)31-24-8-11-26(27(19-24)23-12-18-36-20-23)29(34)33-16-14-32(15-17-33)28-5-3-4-13-30-28/h3-7,9-10,12-13,18,20-21,24,26-27,31H,8,11,14-17,19H2,1-2H3/t21-,24-,26+,27-/m1/s1
PubChem CID57403426
ChEMBLCHEMBL1940356
IUPHARN/A
BindingDB50362448
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC50330.0 nMPMID22197390BindingDB,ChEMBL

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