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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

NameCHEMBL1940535
Molecular formulaC30H37ClN4OS
IUPAC name[4-(5-chloropyridin-2-yl)piperazin-1-yl]-[(1S,2S,4R)-4-[2-(4-methylphenyl)propan-2-ylamino]-2-thiophen-3-ylcyclohexyl]methanone
Molecular weight537.163
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.5
SynonymsBDBM50362421
Inchi KeyVQKCCZVESKKTGU-KWXIBIRDSA-N
Inchi IDInChI=1S/C30H37ClN4OS/c1-21-4-6-23(7-5-21)30(2,3)33-25-9-10-26(27(18-25)22-12-17-37-20-22)29(36)35-15-13-34(14-16-35)28-11-8-24(31)19-32-28/h4-8,11-12,17,19-20,25-27,33H,9-10,13-16,18H2,1-3H3/t25-,26+,27-/m1/s1
PubChem CID57396581
ChEMBLCHEMBL1940535
IUPHARN/A
BindingDB50362421
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC5016.0 nMPMID22197390BindingDB,ChEMBL
IC50211.0 nMPMID22197390BindingDB,ChEMBL

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