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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

Nameclozapine
Molecular formulaC18H19ClN4
IUPAC name3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine
Molecular weight326.828
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.1
Synonyms8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine
Prestwick_693
D0Z1RV
KBio1_000343
AB00052158-13
[ Show all ]
Inchi KeyQZUDBNBUXVUHMW-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
PubChem CID135398737
ChEMBLCHEMBL42
IUPHAR38
BindingDB50001884
DrugBankDB00363

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
N/A N/ADrugBank
Ki5.5 nMPMID24365159ChEMBL
Ki5.888 nMPMID24365159ChEMBL
Ki9.0 nMPMID10715164BindingDB,ChEMBL
Ki12.59 nMPMID14667218ChEMBL
Ki15.8489 - 63.0957 nMPMID15821958, PMID11414657, PMID9720804IUPHAR
Ki18.0 nMPMID23787101, PMID26900658, PMID25435254, PMID22926225BindingDB,ChEMBL
Ki19.95 nMPMID17880057ChEMBL
Ki25.0 nMPMID24691057BindingDB,ChEMBL
Ki37.0 nMPMID25695425BindingDB,ChEMBL
Ki39.81 nMPMID20346662ChEMBL
Ki40.0 nMPMID12825922BindingDB,ChEMBL
Ki48.0 nMPMID15771415BindingDB,ChEMBL
Ki100.0 nMMedChemComm, (2012) 3:5:580ChEMBL

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