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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

NameCHEMBL1940354
Molecular formulaC29H35ClN4O2S
IUPAC name[4-(5-chloropyridin-2-yl)piperazin-1-yl]-[(1S,2S,4R)-4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-thiophen-3-ylcyclohexyl]methanone
Molecular weight539.135
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.0
SynonymsBDBM50362416
Inchi KeyYUOZXCMLTVGRGZ-PBBMNAFMSA-N
Inchi IDInChI=1S/C29H35ClN4O2S/c1-20(21-3-7-25(36-2)8-4-21)32-24-6-9-26(27(17-24)22-11-16-37-19-22)29(35)34-14-12-33(13-15-34)28-10-5-23(30)18-31-28/h3-5,7-8,10-11,16,18-20,24,26-27,32H,6,9,12-15,17H2,1-2H3/t20-,24-,26+,27-/m1/s1
PubChem CID57399921
ChEMBLCHEMBL1940354
IUPHARN/A
BindingDB50362416
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5025.0 nMPMID22197390BindingDB,ChEMBL
IC50360.0 nMPMID22197390BindingDB,ChEMBL

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