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

NameCHEMBL102867
Molecular formulaC27H26Cl2N4O3
IUPAC name1-[7,8-dichloro-1-(3-methylbutyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenylurea
Molecular weight525.43
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.2
SynonymsBDBM50212326
SCHEMBL8639233
Inchi KeyANYJYMDHMSMVDX-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H26Cl2N4O3/c1-17(2)13-14-32-22-15-20(28)21(29)16-23(22)33(19-11-7-4-8-12-19)26(35)24(25(32)34)31-27(36)30-18-9-5-3-6-10-18/h3-12,15-17,24H,13-14H2,1-2H3,(H2,30,31,36)
PubChem CID19043361
ChEMBLCHEMBL102867
IUPHARN/A
BindingDB50212326
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
10008Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
10009Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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