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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

NameMLS001096203
Molecular formulaC22H31N3O5S
IUPAC name4-(azepane-1-carbonyl)-N-(2,5-dimethoxyphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
Molecular weight449.566
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.6
Synonyms4-(azepan-1-ylcarbonyl)-N-(2,5-dimethoxyphenyl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide
4-(azepan-1-ylcarbonyl)-N-(2,5-dimethoxyphenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide
4-(azepane-1-carbonyl)-N-(2,5-dimethoxyphenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide
4-(azepane-1-carbonyl)-N-(2,5-dimethoxyphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
4-[1-azepanyl(oxo)methyl]-N-(2,5-dimethoxyphenyl)-1,2,5-trimethyl-3-pyrrolesulfonamide
[ Show all ]
Inchi KeyCSJDSJQKLZFJQP-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H31N3O5S/c1-15-20(22(26)25-12-8-6-7-9-13-25)21(16(2)24(15)3)31(27,28)23-18-14-17(29-4)10-11-19(18)30-5/h10-11,14,23H,6-9,12-13H2,1-5H3
PubChem CID20945667
ChEMBLCHEMBL1300997
IUPHARN/A
BindingDB62158
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC50<43807.0 nMPubChem BioAssay data setChEMBL
IC5043807.0 nMN/ABindingDB

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