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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

NameCHEMBL1940363
Molecular formulaC30H35N5O2S
IUPAC name6-[4-[(1S,2S,4R)-4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-thiophen-3-ylcyclohexanecarbonyl]piperazin-1-yl]pyridine-3-carbonitrile
Molecular weight529.703
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM50362441
Inchi KeyCBIXQSLRCZFAHJ-WPFDQAMCSA-N
Inchi IDInChI=1S/C30H35N5O2S/c1-21(23-4-7-26(37-2)8-5-23)33-25-6-9-27(28(17-25)24-11-16-38-20-24)30(36)35-14-12-34(13-15-35)29-10-3-22(18-31)19-32-29/h3-5,7-8,10-11,16,19-21,25,27-28,33H,6,9,12-15,17H2,1-2H3/t21-,25-,27+,28-/m1/s1
PubChem CID57391303
ChEMBLCHEMBL1940363
IUPHARN/A
BindingDB50362441
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50194.0 nMPMID22197390BindingDB,ChEMBL
IC507054.0 nMPMID22197390BindingDB,ChEMBL

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