Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

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

You can:

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

Nameserotonin
Molecular formulaC10H12N2O
IUPAC name3-(2-aminoethyl)-1H-indol-5-ol
Molecular weight176.219
Hydrogen bond acceptor2
Hydrogen bond donor3
XlogP0.2
SynonymsKBio2_005040
5-Hydroxy-3-(beta-aminoethyl)indole
KBioSS_000452
50-67-9
NCGC00015525-01
[ Show all ]
Inchi KeyQZAYGJVTTNCVMB-UHFFFAOYSA-N
Inchi IDInChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
PubChem CID5202
ChEMBLCHEMBL39
IUPHAR5
BindingDB10755
DrugBankDB08839

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity100.0 %PMID18562201ChEMBL
EC5010.0 nMPMID8057297BindingDB,ChEMBL
EC50323.0 nMPMID18598015BindingDB,ChEMBL
Emax100.0 %PMID18598015ChEMBL
IC502.6 nMPMID9357534BindingDB,ChEMBL
IC503.0 nMPMID9046348BindingDB,ChEMBL
IC505.2 nM, PMID2374139, PMID8057297, Bioorg. Med. Chem. Lett., (1995) 5:20:2391BindingDB,ChEMBL
Ki0.12 nMPMID9400006BindingDB
Ki1.585 nMPMID10543880ChEMBL
Ki1.6 nMPMID19425598, PMID19831400BindingDB,ChEMBL
Ki1.7 nMPMID2965244BindingDB,ChEMBL
Ki1.862 nMPMID17803293ChEMBL
Ki2.0 nMPMID2299641BindingDB,ChEMBL
Ki2.1 nMPMID23524160, PMID7629808BindingDB,ChEMBL
Ki2.6 nMPMID21816515BindingDB,ChEMBL
Ki3.0 nMPMID3543362, PMID18562201BindingDB,ChEMBL
Ki4.2 nMPMID8584042BindingDB
Ki4.3 nMPMID8230102BindingDB
Ki4.31 nMPMID8230102ChEMBL
Ki4.786 nMPMID8568799ChEMBL
Ki7.3 nMPMID10229626, PMID9513601BindingDB,ChEMBL
Ki9.0 nMMed Chem Res, (2008) 17:8:507ChEMBL
Ki46.77 nMPMID6225026BindingDB
Ki90.0 nMN/ABindingDB
Ki134.0 nMPMID8398139BindingDB

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417