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

NameCHEMBL181885
Molecular formulaC32H40N4O3
IUPAC name1-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-phenyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxamide
Molecular weight528.697
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.3
SynonymsN/A
Inchi KeyAXRKVKQBIUAXQE-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H40N4O3/c1-23(2)35(24(3)4)20-18-33-31(37)30-29-16-15-28(39-22-25-11-7-5-8-12-25)21-26(29)17-19-36(30)32(38)34-27-13-9-6-10-14-27/h5-16,21,23-24,30H,17-20,22H2,1-4H3,(H,33,37)(H,34,38)
PubChem CID22888427
ChEMBLCHEMBL181885
IUPHARN/A
BindingDBN/A
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
17009Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

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