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

NameCHEMBL3905495
Molecular formulaC31H42N4O5
IUPAC name(6S,12S,16Z)-6-[(2S)-butan-2-yl]-9,9-dimethyl-12-(phenylmethoxymethyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),16,18,20-tetraene-7,10,13-trione
Molecular weight550.7
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP3.6
SynonymsN/A
Inchi KeyBFOPZUZAJDKCLD-STTPREBZSA-N
Inchi IDInChI=1S/C31H42N4O5/c1-5-22(2)27-29(37)35-31(3,4)30(38)34-25(21-39-20-23-12-7-6-8-13-23)28(36)33-17-11-15-24-14-9-10-16-26(24)40-19-18-32-27/h6-16,22,25,27,32H,5,17-21H2,1-4H3,(H,33,36)(H,34,38)(H,35,37)/b15-11-/t22-,25-,27-/m0/s1
PubChem CID134136025
ChEMBLCHEMBL3905495
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
548139Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417