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

NameCHEMBL536938
Molecular formulaC27H41Cl3N4O3
IUPAC nameN-[1-(8-azaspiro[4.5]decan-8-yl)-5-[2-(diethylamino)ethylamino]-1,5-dioxopentan-2-yl]-3,5-dichlorobenzamide;hydrochloride
Molecular weight576.0
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeyBJGLBQOYYWBKAV-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H40Cl2N4O3.ClH/c1-3-32(4-2)16-13-30-24(34)8-7-23(31-25(35)20-17-21(28)19-22(29)18-20)26(36)33-14-11-27(12-15-33)9-5-6-10-27;/h17-19,23H,3-16H2,1-2H3,(H,30,34)(H,31,35);1H
PubChem CID45262976
ChEMBLCHEMBL536938
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
25076Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
25075Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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