Home Research Services Publications People Teaching Job Opening Facilities 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 BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER 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

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

NameCHEMBL188565
Molecular formulaC18H24N4O
IUPAC name(2S)-2-amino-1-[(2S)-2-(5-propyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]butan-1-one
Molecular weight312.417
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.2
SynonymsBDBM50154038
2-Amino-1-[2-(4-propyl-1H-imidazol-2-yl)-2,3-dihydro-indol-1-yl]-butan-1-one
Inchi KeyAMQJNDVOPACRBM-HOCLYGCPSA-N
Inchi IDInChI=1S/C18H24N4O/c1-3-7-13-11-20-17(21-13)16-10-12-8-5-6-9-15(12)22(16)18(23)14(19)4-2/h5-6,8-9,11,14,16H,3-4,7,10,19H2,1-2H3,(H,20,21)/t14-,16-/m0/s1
PubChem CID10946904
ChEMBLCHEMBL188565
IUPHARN/A
BindingDB50154038
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
9155Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
9156Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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