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

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-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 TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

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:

Ligand

NameCHEMBL253653
Molecular formulaC25H28IN5O
IUPAC name[(6aR,9R,10aR)-5-iodo-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
Molecular weight541.437
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50423459
Inchi KeyAJDCYXYRCBVXFK-HGHGUNKESA-N
Inchi IDInChI=1S/C25H28IN5O/c1-29-15-16(25(32)31-11-9-30(10-12-31)22-7-2-3-8-27-22)13-18-17-5-4-6-20-23(17)19(14-21(18)29)24(26)28-20/h2-8,16,18,21,28H,9-15H2,1H3/t16-,18-,21-/m1/s1
PubChem CID44447014
ChEMBLCHEMBL253653
IUPHARN/A
BindingDB50423459
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6804Somatostatin receptor type 1P28646Sstr1Rattus norvegicus (Rat)391
6803Somatostatin receptor type 2P30680Sstr2Rattus norvegicus (Rat)369

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