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

NameMLS003591018
Molecular formulaC30H33N7
IUPAC nameN'-benzyl-N'-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-quinolin-4-ylmethyl]-N,N-dimethylethane-1,2-diamine
Molecular weight491.643
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP5.3
SynonymsSMR002251576
CHEMBL2133907
Inchi KeyAHKCLEFDKBUQSD-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H33N7/c1-22-11-10-12-23(2)28(22)37-30(32-33-34-37)29(26-17-18-31-27-16-9-8-15-25(26)27)36(20-19-35(3)4)21-24-13-6-5-7-14-24/h5-18,29H,19-21H2,1-4H3
PubChem CID53300949
ChEMBLCHEMBL2133907
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5644Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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