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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

NameCHEMBL1940525
Molecular formulaC30H35ClN4O2S
IUPAC name[4-(5-chloropyridin-2-yl)piperazin-1-yl]-[(1S,2S,4R)-4-[[1-(4-methoxyphenyl)cyclopropyl]amino]-2-thiophen-3-ylcyclohexyl]methanone
Molecular weight551.146
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.9
SynonymsBDBM50362431
Inchi KeyCFKXYDIIHXGQEA-FXVJXKIMSA-N
Inchi IDInChI=1S/C30H35ClN4O2S/c1-37-25-6-2-22(3-7-25)30(11-12-30)33-24-5-8-26(27(18-24)21-10-17-38-20-21)29(36)35-15-13-34(14-16-35)28-9-4-23(31)19-32-28/h2-4,6-7,9-10,17,19-20,24,26-27,33H,5,8,11-16,18H2,1H3/t24-,26+,27-/m1/s1
PubChem CID57398360
ChEMBLCHEMBL1940525
IUPHARN/A
BindingDB50362431
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5056.0 nMPMID22197390BindingDB,ChEMBL
IC50523.0 nMPMID22197390BindingDB,ChEMBL

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