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

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

You can:

Ligand

NameMetergoline phenylmethyl ester
Molecular formulaC25H29N3O2
IUPAC namebenzyl N-[(4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)methyl]carbamate
Molecular weight403.526
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.8
SynonymsAC1L1HE1
AKOS030241625
BDBM86523
BRD-A30435184-001-01-5
CAS_17692-51-2
[ Show all ]
Inchi KeyWZHJKEUHNJHDLS-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)
PubChem CID4090
ChEMBLN/A
IUPHARN/A
BindingDB86523
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 13
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3861725-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
3861635-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
3861665-hydroxytryptamine receptor 1BO08892HTR1BCavia porcellus (Guinea pig)389
3861695-hydroxytryptamine receptor 1DP79400HTR1DSus scrofa (Pig)291
3861705-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
3861745-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
3861655-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366
3861715-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
3861645-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
3861675-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
3861755-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
3861685-hydroxytryptamine receptor 7P50407HTR7Cavia porcellus (Guinea pig)446
3861735-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479

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