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

I-TASSER C-I-TASSER QUARK C-QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH Threapp 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 TripletRes WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner

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

NameCHEMBL3582330
Molecular formulaC25H21FN10O
IUPAC name5-[(1R,3R)-3-[5-(5-fluoropyridin-2-yl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-1,3,4-oxadiazol-2-amine
Molecular weight496.51
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP0.9
SynonymsBDBM50091421
Inchi KeyBOKJQWGRYGDLOQ-KBMIEXCESA-N
Inchi IDInChI=1S/C25H21FN10O/c1-36-12-13(9-30-36)25(23-34-35-24(27)37-23)21-16(15-4-2-3-5-17(15)31-21)8-19(33-25)22-29-11-20(32-22)18-7-6-14(26)10-28-18/h2-7,9-12,19,31,33H,8H2,1H3,(H2,27,35)(H,29,32)/t19-,25-/m1/s1
PubChem CID122179470
ChEMBLCHEMBL3582330
IUPHARN/A
BindingDB50091421
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
466466Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418

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