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

NameCHEMBL294735
Molecular formulaC29H35N5O3
IUPAC name2-adamantyl N-[3-(benzotriazol-1-yl)-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
Molecular weight501.631
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50289882
(2-Benzotriazol-1-yl-1-methyl-1-phenethylcarbamoyl-ethyl)-carbamic acid adamantan-2-yl ester
Inchi KeyFSNWQBMLDARLKU-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H35N5O3/c1-29(18-34-25-10-6-5-9-24(25)32-33-34,27(35)30-12-11-19-7-3-2-4-8-19)31-28(36)37-26-22-14-20-13-21(16-22)17-23(26)15-20/h2-10,20-23,26H,11-18H2,1H3,(H,30,35)(H,31,36)
PubChem CID44303488
ChEMBLCHEMBL294735
IUPHARN/A
BindingDB50289882
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
86231Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
86230Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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