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

NameCHEMBL175411
Molecular formulaC28H24N2O3
IUPAC name2-phenyl-N-[4-(5,6,7,8-tetrahydrofuro[3,2-b]azepine-4-carbonyl)phenyl]benzamide
Molecular weight436.511
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.3
SynonymsBDBM50370395
Inchi KeyDZGOBTYEFOVIMZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H24N2O3/c31-27(24-11-5-4-10-23(24)20-8-2-1-3-9-20)29-22-15-13-21(14-16-22)28(32)30-18-7-6-12-26-25(30)17-19-33-26/h1-5,8-11,13-17,19H,6-7,12,18H2,(H,29,31)
PubChem CID11476070
ChEMBLCHEMBL175411
IUPHARN/A
BindingDB50370395
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
72625Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371
72626Vasopressin V2 receptorQ00788Avpr2Rattus norvegicus (Rat)371

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