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GPCR

Name5-hydroxytryptamine receptor 1A
SpeciesRattus norvegicus (Rat)
GeneHtr1a
Synonym5-HT1A receptor
5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled
5-HT1A
ADRB2RL1
ADRBRL1
[ Show all ]
DiseaseN/A for non-human GPCRs
Length422
Amino acid sequenceMDVFSFGQGNNTTASQEPFGTGGNVTSISDVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPPPKKSLNGQPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESGSNSYAPACLERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRR
UniProtP19327
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL273
IUPHAR1
DrugBankN/A

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
SynonymsSR-01000000096
BRD-K37289225-001-23-2
Leponex (TN)
HMS3371H05
Tox21_110113
[ 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
IC50267.6 nMPMID12361392BindingDB,ChEMBL
IC50491.0 nMDrugMatrix in vitro pharmacology dataChEMBL
IC50580.0 nMPMID1672156BindingDB,ChEMBL
IC50600.0 nMPMID1676427BindingDB,ChEMBL
IC501010.0 nMPMID8831770BindingDB,ChEMBL
IC501015.5 nMPMID7914536BindingDB,ChEMBL
IC502000.0 nMPMID7914539, PMID8568802, PMID8676355BindingDB,ChEMBL
Ki38.5 nMPMID7473548ChEMBL
Ki39.0 nMPMID1346653, PMID7473548, PMID7473547BindingDB,ChEMBL
Ki95.5 nMPMID17870534ChEMBL
Ki111.0 nMPMID9622541, PMID7909336BindingDB,ChEMBL
Ki130.0 nMPMID8709107BindingDB,ChEMBL
Ki140.0 nMPMID21816515BindingDB,ChEMBL
Ki141.6 nMPMID23675993ChEMBL
Ki150.0 nMPMID8691438BindingDB,ChEMBL
Ki160.0 nMPMID19072656, PMID20481570BindingDB,ChEMBL
Ki161.0 nMPMID26483200BindingDB,ChEMBL
Ki185.6 nMPMID24487191, MedChemComm, (2015) 6:5:831ChEMBL
Ki247.0 nMPMID9876110ChEMBL
Ki247.0 nMPMID9876110BindingDB
Ki260.0 nMPMID23353740, PMID23792350BindingDB,ChEMBL
Ki281.0 nMDrugMatrix in vitro pharmacology dataChEMBL
Ki380.0 nMPMID20153652BindingDB,ChEMBL
Ki415.0 nMPMID10464021BindingDB
Ki415.0 nMPMID10464021ChEMBL
Ki443.0 nMPMID10649982BindingDB
Ki443.0 nMPMID10649982ChEMBL
Ki640.0 nMPMID1353116BindingDB,ChEMBL

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