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

NameMLS001030049
Molecular formulaC18H14Br2N4O
IUPAC name2-(7-bromo-1-methyltriazolo[4,5-c]pyridin-5-ium-5-yl)-1-naphthalen-2-ylethanone;bromide
Molecular weight462.145
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogPNone
SynonymsMCULE-4351862910
AKOS030508435
SMR000427269
CHEMBL1390804
1039674-24-2
[ Show all ]
Inchi KeyAHFMJFTXXJPDGV-UHFFFAOYSA-M
Inchi IDInChI=1S/C18H14BrN4O.BrH/c1-22-18-15(19)9-23(10-16(18)20-21-22)11-17(24)14-7-6-12-4-2-3-5-13(12)8-14;/h2-10H,11H2,1H3;1H/q+1;/p-1
PubChem CID16745828
ChEMBLCHEMBL1390804
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5503Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
5502Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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