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 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

NameCHEMBL2372834
Molecular formulaC21H30N6O6
IUPAC name(5S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3,8,14-trioxo-1,4,9-triazacyclotetradecane-5-carboxamide
Molecular weight462.507
Hydrogen bond acceptor7
Hydrogen bond donor7
XlogP-1.9
SynonymsBDBM50452204
Inchi KeyBDLXRHXTYUQFLN-JYJNAYRXSA-N
Inchi IDInChI=1S/C21H30N6O6/c22-14(10-12-3-5-13(28)6-4-12)20(32)27-16-2-1-9-24-17(29)8-7-15(19(23)31)26-18(30)11-25-21(16)33/h3-6,14-16,28H,1-2,7-11,22H2,(H2,23,31)(H,24,29)(H,25,33)(H,26,30)(H,27,32)/t14-,15-,16-/m0/s1
PubChem CID73356350
ChEMBLCHEMBL2372834
IUPHARN/A
BindingDB50452204
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
21052Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
21051Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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