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 1B
SpeciesRattus norvegicus (Rat)
GeneHtr1b
SynonymHTR1D2
5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled
5-HT1Dbeta
5-HT1DB
5-HT1B serotonin receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length386
Amino acid sequenceMEEQGIQCAPPPPATSQTGVPLANLSHNCSADDYIYQDSIALPWKVLLVALLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASIMHLCVIALDRYWAITDAVDYSAKRTPKRAAIMIVLVWVFSISISLPPFFWRQAKAEEEVLDCFVNTDHVLYTVYSTVGAFYLPTLLLIALYGRIYVEARSRILKQTPNKTGKRLTRAQLITDSPGSTSSVTSINSRVPEVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHMAIFDFFNWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTG
UniProtP28564
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3459
IUPHAR2
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
SynonymsLopac0_000607
AC1Q54C0
NCGC00015525-05
AX8011985
NCGC00142449-04
[ 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
EC5026.0 nMPMID2374139BindingDB,ChEMBL
IC504.6 nMPMID9357534BindingDB,ChEMBL
IC504.9 nMPMID26988801, PMID27876250BindingDB,ChEMBL
IC505.0 nMPMID2374139BindingDB,ChEMBL
Ki0.57 nMPMID7984267BindingDB
Ki1.1 nMPMID9513601, PMID10229626BindingDB,ChEMBL
Ki2.5 nMPMID7629808BindingDB,ChEMBL
Ki2.512 nMPMID10543880ChEMBL
Ki2.6 nMPMID8935801BindingDB
Ki3.0 nMPMID8584042BindingDB
Ki3.01 nMPMID7984267BindingDB
Ki3.467 nMPMID3385733ChEMBL
Ki5.0 nMPMID2299641BindingDB,ChEMBL
Ki5.24 nMPMID7984267BindingDB
Ki5.4 nMPMID2965244, PMID8071931BindingDB,ChEMBL
Ki14.0 nMPMID1738111BindingDB
Ki15.84 nMPMID7984267BindingDB
Ki25.0 nMPMID3543362BindingDB,ChEMBL

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