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GPCR

NameNeuropeptides B/W receptor type 1
SpeciesHomo sapiens (Human)
GeneNPBWR1
SynonymG protein-coupled receptor 7
G-protein coupled receptor 7
GPR7
neuropeptides B/W receptor type 1
NPBW1 receptor
DiseaseN/A
Length328
Amino acid sequenceMDNASFSEPWPANASGPDPALSCSNASTLAPLPAPLAVAVPVVYAVICAVGLAGNSAVLYVLLRAPRMKTVTNLFILNLAIADELFTLVLPINIADFLLRQWPFGELMCKLIVAIDQYNTFSSLYFLTVMSADRYLVVLATAESRRVAGRTYSAARAVSLAVWGIVTLVVLPFAVFARLDDEQGRRQCVLVFPQPEAFWWRASRLYTLVLGFAIPVSTICVLYTTLLCRLHAMRLDSHAKALERAKKRVTFLVVAILAVCLLCWTPYHLSTVVALTTDLPQTPLVIAISYFITSLSYANSCLNPFLYAFLDASFRRNLRQLITCRAAA
UniProtP48145
Protein Data BankN/A
GPCR-HGmod modelP48145
3D structure modelThis predicted structure model is from GPCR-EXP P48145.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1293293
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL1940541
Molecular formulaC29H34F3N5O2S2
IUPAC name[(1S,2S,4R)-4-[[1-(4-methoxyphenyl)cyclobutyl]amino]-2-thiophen-3-ylcyclohexyl]-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
Molecular weight605.739
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP5.1
SynonymsBDBM50362411
Inchi KeyGGLJTFZSSXJGEQ-YFNKSVMNSA-N
Inchi IDInChI=1S/C29H34F3N5O2S2/c1-39-22-6-3-20(4-7-22)28(10-2-11-28)33-21-5-8-23(24(17-21)19-9-16-40-18-19)25(38)36-12-14-37(15-13-36)27-35-34-26(41-27)29(30,31)32/h3-4,6-7,9,16,18,21,23-24,33H,2,5,8,10-15,17H2,1H3/t21-,23+,24-/m1/s1
PubChem CID57396583
ChEMBLCHEMBL1940541
IUPHARN/A
BindingDB50362411
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC5095.0 nMPMID22197390BindingDB,ChEMBL
IC50342.0 nMPMID22197390BindingDB,ChEMBL

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