Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL127463
Molecular formulaC25H24FN3O
IUPAC name4-fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethyl]benzamide
Molecular weight401.485
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.7
Synonyms4-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-2-yl)-ethyl]-benzamide
BDBM50049802
N-[2-[(2,3-Dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin)-2-yl]ethyl]-4-fluorobenzamide
SCHEMBL719208
va-100
Inchi KeyAESATWJIMVTHFR-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H24FN3O/c1-29-21(15-16-27-25(30)19-11-13-20(26)14-12-19)17-28-24(18-7-3-2-4-8-18)22-9-5-6-10-23(22)29/h2-14,21H,15-17H2,1H3,(H,27,30)
PubChem CID10408752
ChEMBLCHEMBL127463
IUPHARN/A
BindingDB50049802
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3799Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
3801Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
3802Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
3800Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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