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 DMFold 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

NameCHEMBL3582336
Molecular formulaC27H24FN9O2
IUPAC name5-[(1R,3R)-1-(1-ethylpyrazol-4-yl)-3-[5-(5-fluoropyridin-2-yl)-1H-imidazol-2-yl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3-methyl-1,3,4-oxadiazol-2-one
Molecular weight525.548
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP2.0
SynonymsBDBM50091414
Inchi KeyRETOYYSEVCBIRN-JIPXPUAJSA-N
Inchi IDInChI=1S/C27H24FN9O2/c1-3-37-14-15(11-31-37)27(25-35-36(2)26(38)39-25)23-18(17-6-4-5-7-19(17)32-23)10-21(34-27)24-30-13-22(33-24)20-9-8-16(28)12-29-20/h4-9,11-14,21,32,34H,3,10H2,1-2H3,(H,30,33)/t21-,27-/m1/s1
PubChem CID122179477
ChEMBLCHEMBL3582336
IUPHARN/A
BindingDB50091414
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
499335Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
499336Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
499334Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
499337Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
499339Somatostatin receptor type 3P30936Sstr3Rattus norvegicus (Rat)428
499332Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
499333Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364
499338Substance-K receptorP21452TACR2Homo sapiens (Human)398

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