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

NameCHEMBL1808413
Molecular formulaC27H37N5O3
IUPAC name1-[5-[2-(diethylamino)ethyl]-1-(3-methylbutyl)-2,4-dioxo-1,5-benzodiazepin-3-yl]-3-phenylurea
Molecular weight479.625
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.8
SynonymsBDBM50418899
Inchi KeyBRLWQAZBALAKRT-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H37N5O3/c1-5-30(6-2)18-19-32-23-15-11-10-14-22(23)31(17-16-20(3)4)25(33)24(26(32)34)29-27(35)28-21-12-8-7-9-13-21/h7-15,20,24H,5-6,16-19H2,1-4H3,(H2,28,29,35)
PubChem CID56673523
ChEMBLCHEMBL1808413
IUPHARN/A
BindingDB50418899
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
31113Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444

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