Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

GPCR

Name5-hydroxytryptamine receptor 1D
SpeciesHomo sapiens (Human)
GeneHTR1D
SynonymSerotonin 1D alpha receptor
serotonin receptor 1D
HTRL
Htr1db
5-HT-1D
[ Show all ]
DiseaseAcute migraine
Epilepsy
Migraine headaches
Mood disorder
Migraine
[ Show all ]
Length377
Amino acid sequenceMSPLNQSAEGLPQEASNRSLNATETSEAWDPRTLQALKISLAVVLSVITLATVLSNAFVLTTILLTRKLHTPANYLIGSLATTDLLVSILVMPISIAYTITHTWNFGQILCDIWLSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAATMIAIVWAISICISIPPLFWRQAKAQEEMSDCLVNTSQISYTIYSTCGAFYIPSVLLIILYGRIYRAARNRILNPPSLYGKRFTTAHLITGSAGSSLCSLNSSLHEGHSHSAGSPLFFNHVKIKLADSALERKRISAARERKATKILGIILGAFIICWLPFFVVSLVLPICRDSCWIHPALFDFFTWLGYLNSLINPIIYTVFNEEFRQAFQKIVPFRKAS
UniProtP28221
Protein Data BankN/A
GPCR-HGmod modelP28221
3D structure modelThis predicted structure model is from GPCR-EXP P28221.
BioLiPN/A
Therapeutic Target DatabaseT11072
ChEMBLCHEMBL1983
IUPHAR3
DrugBankBE0000659

Ligand

NameLISURIDE
Molecular formulaC20H26N4O
IUPAC name3-[(6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
Molecular weight338.455
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP2.7
SynonymsLysuride
Lisurida
Lisuridum
18016-80-3
Lisuridum [INN-Latin]
[ Show all ]
Inchi KeyBKRGVLQUQGGVSM-KBXCAEBGSA-N
Inchi IDInChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
PubChem CID28864
ChEMBLCHEMBL157138
IUPHAR43
BindingDB50056445
DrugBankDB00589

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
N/A N/ADrugBank
Ki1.0 nMPMID12388666IUPHAR

yangzhanglabumich.edu | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218