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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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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

Name8-OH-Dpat
Molecular formulaC16H25NO
IUPAC name7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
Molecular weight247.382
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.1
Synonyms105558-30-3
78950-78-4
80300-08-9
BDBM21393
CHEMBL56
[ Show all ]
Inchi KeyASXGJMSKWNBENU-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
PubChem CID1220
ChEMBLCHEMBL56
IUPHAR7, 31
BindingDB21393
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Basal12.98 (fM of GTP-gammaS bound) (mg ofPMID12213056ChEMBL
Basal13.5 (fM of GTP-gammaS bound) (mg ofPMID12213056ChEMBL
EC500.084 ug kg-1PMID11728188ChEMBL
EC500.137 ug kg-1PMID11728188ChEMBL
ED500.099 umol.kg-1PMID11101361ChEMBL
Hill coefficient1.01 -PMID2521252ChEMBL
IC501.1 nMPMID7699710, PMID8289207BindingDB,ChEMBL
IC502.1 nMPMID8960552, PMID8759642BindingDB,ChEMBL
IC502.4 nMPMID8863806, PMID7912735BindingDB,ChEMBL
IC503.0 nMPMID3373482BindingDB
IC503.0 nMPMID2537429BindingDB,ChEMBL
IC503.02 nMPMID3373482ChEMBL
IC504.0 nMPMID1433207BindingDB,ChEMBL
IC504.46 nMPMID2571729ChEMBL
IC504.5 nMPMID2571729BindingDB
IC508.06 nMBioorg. Med. Chem. Lett., (1997) 7:22:2857ChEMBL
IC508.1 nMN/ABindingDB
IC5014.0 nMPMID9083484BindingDB,ChEMBL
Increase91.85 %PMID12213056ChEMBL
Kd2.5 nMPMID7996545BindingDB,ChEMBL
Ki0.27 nMBioorg. Med. Chem. Lett., (1993) 3:10:2035ChEMBL
Ki0.27 nMN/ABindingDB
Ki0.47 nMPMID10743959BindingDB
Ki0.47 nMPMID10743959ChEMBL
Ki0.5 nMPMID7861420, PMID7783152, PMID9083484BindingDB,ChEMBL
Ki0.5 nMPMID7783152, PMID9083484BindingDB
Ki0.5 nMPMID9083484BindingDB
Ki0.54 nMN/ABindingDB
Ki0.54 nMBioorg. Med. Chem. Lett., (1993) 3:10:2035ChEMBL
Ki0.63 nMPMID8230102BindingDB,ChEMBL
Ki0.64 nMPMID17900912BindingDB,ChEMBL
Ki0.8 nMPMID19954866, PMID22133459BindingDB,ChEMBL
Ki0.8 nMPMID26820556BindingDB
Ki1.0 nMPMID2795604, PMID2140413BindingDB,ChEMBL
Ki1.02 nMPMID24050112ChEMBL
Ki1.09 nMBioorg. Med. Chem. Lett., (1993) 3:10:2035ChEMBL
Ki1.1 nMN/ABindingDB
Ki1.18 nMPMID7731013BindingDB,ChEMBL
Ki1.2 nMPMID15588097, PMID14640559, PMID2965244, PMID12570387, PMID23466604, PMID2521252BindingDB,ChEMBL
Ki1.259 nMPMID9046349ChEMBL
Ki1.4 nMPMID7752194BindingDB
Ki1.413 nMPMID9836623, PMID17300168, PMID17803293ChEMBL
Ki1.44 nMPMID7752194, PMID1535661BindingDB,ChEMBL
Ki1.59 nMPMID8289183ChEMBL
Ki1.6 nMPMID8289183BindingDB
Ki1.862 nMPMID8568799ChEMBL
Ki2.0 nMPMID12877594, PMID12482417, PMID18760923, PMID3543362, PMID12166933BindingDB,ChEMBL
Ki2.1 nMPMID11728188, PMID9836617, PMID2569041, PMID12477356BindingDB,ChEMBL
Ki2.26 nMBioorg. Med. Chem. Lett., (1993) 3:10:2035ChEMBL
Ki2.3 nMN/ABindingDB
Ki2.33 nMPMID9888842BindingDB,ChEMBL
Ki2.8 nMPMID8410989BindingDB,ChEMBL
Ki3.2 nMPMID1995871BindingDB
Ki4.3 nMPMID8568804, PMID8863803BindingDB,ChEMBL
Ki6.17 nMPMID8584042BindingDB
Ki8.13 nMPMID8584042BindingDB
Ki8.7 nMPMID8340910, PMID8230131, PMID7932553BindingDB,ChEMBL
Ki27.0 nMPMID8398139BindingDB
Ki975.0 nMPMID2140413BindingDB,ChEMBL
KiAH1.16 nMPMID1535661ChEMBL
Max23.83 (fM of GTP-gammaS bound) (mg ofPMID12213056ChEMBL
Max25.9 (fM of GTP-gammaS bound) (mg ofPMID12213056ChEMBL

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