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

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner

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 1F
SpeciesRattus norvegicus (Rat)
GeneHtr1f
SynonymHTR1EL
5-hydroxytryptamine (serotonin) receptor 1F, G protein-coupled
5-HT6
5-HT1F receptor
5-HT1F
[ Show all ]
DiseaseN/A for non-human GPCRs
Length366
Amino acid sequenceMDFLNSSDQNLTSEELLNRMPSKILVSLTLSGLALMTTTINCLVITAIIVTRKLHHPANYLICSLAVTDFLVAVLVMPFSIVYIVRESWIMGQGLCDLWLSVDIICCTCSILHLSAIALDRYRAITDAVEYARKRTPRHAGITITTVWVISVFISVPPLFWRHQGNSRDDQCIIKHDHIVSTIYSTFGAFYIPLVLILILYYKIYRAARTLYHKRQASRMIKEELNGQVLLESGEKSIKLVSTSYMLEKSLSDPSTDFDRIHSTVKSPRSELKHEKSWRRQKISGTRERKAATTLGLILGAFVICWLPFFVKELVVNICEKCKISEEMSNFLAWLGYLNSLINPLIYTIFNEDFKKAFQKLVRCRN
UniProtP30940
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4646
IUPHAR5
DrugBankN/A

Ligand

Namemethysergide
Molecular formulaC21H27N3O2
IUPAC name(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
Molecular weight353.466
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.3
SynonymsDSSTox_CID_3307
Ergoline-8beta-carboxamide, 9,10-didehydro-N-(1-(hydroxymethyl)propyl)-1,6-dimethyl-
Methyllysergic acid butanolamide
(6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (1-hydroxymethyl-propyl)-amide
Methysergidum [INN-Latin]
[ Show all ]
Inchi KeyKPJZHOPZRAFDTN-ZRGWGRIASA-N
Inchi IDInChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
PubChem CID9681
ChEMBLCHEMBL1065
IUPHAR134
BindingDB30708, 50031942
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5015.8489 nMPMID8384716IUPHAR
Ki13.48 nMPMID7984267BindingDB

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