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:

Ligand

NameSMR000220470
Molecular formulaC18H20N4
IUPAC nameN-[2-(cyclohexen-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine
Molecular weight292.386
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.1
SynonymsMLS000580267
N-[2-(cyclohexen-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine
(2-Cyclohex-1-enyl-ethyl)-(5H-pyrimido[5,4-b]indol-4-yl)-amine
AC1LJ4OP
cid_944164
[ Show all ]
Inchi KeyBGFVIPOCYPUSEB-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H20N4/c1-2-6-13(7-3-1)10-11-19-18-17-16(20-12-21-18)14-8-4-5-9-15(14)22-17/h4-6,8-9,12,22H,1-3,7,10-11H2,(H,19,20,21)
PubChem CID944164
ChEMBLN/A
IUPHARN/A
BindingDB42058
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
22952Galanin receptor type 2O43603GALR2Homo sapiens (Human)387
22951Galanin receptor type 3O60755GALR3Homo sapiens (Human)368

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