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

NameCHEMBL351654
Molecular formulaC26H23N3O2
IUPAC nameN-[4-(3,9-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene-9-carbonyl)phenyl]-2-methylbenzamide
Molecular weight409.489
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP4.7
SynonymsN-[4-(3,4,5,6-Tetrahydro-1H-azepino[4,3,2-cd]indole-6-ylcarbonyl)phenyl]-2-methylbenzamide
Inchi KeyAFNCGNPUMCGZOJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H23N3O2/c1-17-6-2-3-8-21(17)25(30)28-20-13-11-18(12-14-20)26(31)29-15-5-7-19-16-27-22-9-4-10-23(29)24(19)22/h2-4,6,8-14,16,27H,5,7,15H2,1H3,(H,28,30)
PubChem CID44377506
ChEMBLCHEMBL351654
IUPHARN/A
BindingDBN/A
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
4286Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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