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GPCR

Name5-hydroxytryptamine receptor 7
SpeciesHomo sapiens (Human)
GeneHTR7
Synonym5-HT-7
Serotonin receptor 7
5-HT-X
5-HT1Y
5-HT7
[ Show all ]
DiseaseSleep disorders
Schizophrenia
Major depressive disorder
Length479
Amino acid sequenceMMDVNSSGRPDLYGHLRSFLLPEVGRGLPDLSPDGGADPVAGSWAPHLLSEVTASPAPTWDAPPDNASGCGEQINYGRVEKVVIGSILTLITLLTIAGNCLVVISVCFVKKLRQPSNYLIVSLALADLSVAVAVMPFVSVTDLIGGKWIFGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMAKMILSVWLLSASITLPPLFGWAQNVNDDKVCLISQDFGYTIYSTAVAFYIPMSVMLFMYYQIYKAARKSAAKHKFPGFPRVEPDSVIALNGIVKLQKEVEECANLSRLLKHERKNISIFKREQKAATTLGIIVGAFTVCWLPFFLLSTARPFICGTSCSCIPLWVERTFLWLGYANSLINPFIYAFFNRDLRTTYRSLLQCQYRNINRKLSAAGMHEALKLAERPERPEFVLRACTRRVLLRPEKRPPVSVWVLQSPDHHNWLADKMLTTVEKKVMIHD
UniProtP34969
Protein Data BankN/A
GPCR-HGmod modelP34969
3D structure modelThis predicted structure model is from GPCR-EXP P34969.
BioLiPN/A
Therapeutic Target DatabaseT79062
ChEMBLCHEMBL3155
IUPHAR12
DrugBankBE0000650, BE0004862

Ligand

NameCHEMBL1836792
Molecular formulaC24H24F4N2O
IUPAC name5-fluoro-3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one
Molecular weight432.463
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50354498
SCHEMBL5176507
Inchi KeyAFFLRZAJRVFCHF-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H24F4N2O/c25-19-7-8-22-21(15-19)20(23(31)29-22)6-1-2-11-30-12-9-16(10-13-30)17-4-3-5-18(14-17)24(26,27)28/h3-5,7-9,14-15,20H,1-2,6,10-13H2,(H,29,31)
PubChem CID11532105
ChEMBLCHEMBL1836792
IUPHARN/A
BindingDB50354498
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki40.0 nMPMID21859099BindingDB,ChEMBL

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