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

NameCHEMBL252032
Molecular formulaC25H26ClN7OS
IUPAC name[(6aR,9R,10aR)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-[4-([1,2,5]thiadiazolo[3,4-b]pyridin-5-yl)piperazin-1-yl]methanone
Molecular weight508.041
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50423475
Inchi KeyAPMKIUAVCAZQDA-AKCHCHLHSA-N
Inchi IDInChI=1S/C25H26ClN7OS/c1-31-13-14(11-16-15-3-2-4-18-22(15)17(12-20(16)31)23(26)27-18)25(34)33-9-7-32(8-10-33)21-6-5-19-24(28-21)30-35-29-19/h2-6,14,16,20,27H,7-13H2,1H3/t14-,16-,20-/m1/s1
PubChem CID44447075
ChEMBLCHEMBL252032
IUPHARN/A
BindingDB50423475
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
11126Somatostatin receptor type 1P28646Sstr1Rattus norvegicus (Rat)391
11125Somatostatin receptor type 2P30680Sstr2Rattus norvegicus (Rat)369

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