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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

NameCHEMBL1940538
Molecular formulaC32H39N5O2S
IUPAC name[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-[(1S,2S,4R)-4-[2-(4-methoxyphenyl)propan-2-ylamino]-2-thiophen-3-ylcyclohexyl]methanone
Molecular weight557.757
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.1
SynonymsBDBM50362413
Inchi KeyQKADSHKUXVGWTL-FXVJXKIMSA-N
Inchi IDInChI=1S/C32H39N5O2S/c1-32(2,23-8-11-25(39-3)12-9-23)35-24-10-13-26(27(20-24)22-14-19-40-21-22)30(38)36-15-17-37(18-16-36)31-33-28-6-4-5-7-29(28)34-31/h4-9,11-12,14,19,21,24,26-27,35H,10,13,15-18,20H2,1-3H3,(H,33,34)/t24-,26+,27-/m1/s1
PubChem CID56934549
ChEMBLCHEMBL1940538
IUPHARN/A
BindingDB50362413
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
IC502.4 nMPMID22197390BindingDB,ChEMBL
IC504.6 nMPMID22197390BindingDB,ChEMBL

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