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

NameCHEMBL3263687
Molecular formulaC30H36N4O4
IUPAC nameN-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(oxolan-3-yl)propylcarbamoyl]phenyl]furan-2-carboxamide
Molecular weight516.642
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.5
SynonymsBDBM50012116
SCHEMBL14651693
Inchi KeyGGRKYOFRZUJYAP-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H36N4O4/c1-22-6-2-3-8-26(22)33-14-16-34(17-15-33)27-11-10-24(20-25(27)32-30(36)28-9-5-18-38-28)29(35)31-13-4-7-23-12-19-37-21-23/h2-3,5-6,8-11,18,20,23H,4,7,12-17,19,21H2,1H3,(H,31,35)(H,32,36)
PubChem CID71234040
ChEMBLCHEMBL3263687
IUPHARN/A
BindingDB50012116
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
95970Follicle-stimulating hormone receptorP23945FSHRHomo sapiens (Human)695

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