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

NameCHEMBL210277
Molecular formulaC33H31FN2O4S
IUPAC nameethyl 3-[[benzyl(methyl)amino]methyl]-7-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-4-oxothieno[2,3-b]pyridine-5-carboxylate
Molecular weight570.679
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP6.7
SynonymsL013962
SCHEMBL7008132
BDBM50189706
ethyl 7-(2-fluorobenzyl)-3-((benzyl(methyl)amino)methyl)-2-(4-methoxyphenyl)-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate
Inchi KeyBHZJFQNYKUBEDC-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H31FN2O4S/c1-4-40-33(38)27-21-36(19-24-12-8-9-13-28(24)34)32-29(30(27)37)26(20-35(2)18-22-10-6-5-7-11-22)31(41-32)23-14-16-25(39-3)17-15-23/h5-17,21H,4,18-20H2,1-3H3
PubChem CID11642933
ChEMBLCHEMBL210277
IUPHARN/A
BindingDB50189706
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
24221Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328

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