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GPCR

Name5-hydroxytryptamine receptor 7
SpeciesRattus norvegicus (Rat)
GeneHtr7
SynonymGPRFO
5-hydroxytryptamine (serotonin) receptor 7, adenylate cyclase-coupled
5-HTx
5-HT7 receptor
5-HT7
[ Show all ]
DiseaseN/A for non-human GPCRs
Length448
Amino acid sequenceMMDVNSSGRPDLYGHLRSLILPEVGRGLQDLSPDGGAHPVVSSWMPHLLSGFLEVTASPAPTWDAPPDNVSGCGEQINYGRVEKVVIGSILTLITLLTIAGNCLVVISVCFVKKLRQPSNYLIVSLALADLSVAVAVMPFVSVTDLIGGKWIFGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMAKMILSVWLLSASITLPPLFGWAQNVNDDKVCLISQDFGYTIYSTAVAFYIPMSVMLFMYYQIYKAARKSAAKHKFPGFPRVQPESVISLNGVVKLQKEVEECANLSRLLKHERKNISIFKREQKAATTLGIIVGAFTVCWLPFFLLSTARPFICGTSCSCIPLWVERTCLWLGYANSLINPFIYAFFNRDLRTTYRSLLQCQYRNINRKLSAAGMHEALKLAERPERSEFVLQNSDHCGKKGHDT
UniProtP32305
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3223
IUPHAR12
DrugBankN/A

Ligand

NameCHEMBL28056
Molecular formulaC25H22N2
IUPAC name2-[(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl]-3-methylbenzonitrile
Molecular weight350.465
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP5.2
SynonymsBDBM50098549
(6aR)-11-(2-Cyano-6-methylphenyl)-4,5,6a,7-tetrahydro-6-methyl-6H-dibenzo[de,g]quinoline
(6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl)-benzonitrile
(6aR,aS)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl)-benzonitrile
3-Methyl-2-((R)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl)-benzonitrile
Inchi KeyAPEZAWGOFKUHCA-JOCHJYFZSA-N
Inchi IDInChI=1S/C25H22N2/c1-16-6-3-9-19(15-26)23(16)20-10-5-8-18-14-22-25-17(12-13-27(22)2)7-4-11-21(25)24(18)20/h3-11,22H,12-14H2,1-2H3/t22-/m1/s1
PubChem CID11725453
ChEMBLCHEMBL28056
IUPHARN/A
BindingDB50098549
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition21.0 %PMID11311055ChEMBL
Inhibition33.0 %PMID11311055ChEMBL
Inhibition42.0 %PMID11311055ChEMBL
Inhibition97.0 %PMID11311055ChEMBL
Inhibition100.0 %PMID11311055ChEMBL
Ki3.79 nMPMID15267230, PMID11311055BindingDB,ChEMBL
Ki3.981 nMPMID14667218ChEMBL
Ki20.8 nMPMID11311055BindingDB,ChEMBL

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