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

NameCHEMBL1688939
Molecular formulaC14H15N5
IUPAC name4-benzyl-1-[2-(1H-imidazol-5-yl)ethyl]triazole
Molecular weight253.309
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP1.7
SynonymsBDBM50418074
Inchi KeyALQGNVPKKTWRPO-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H15N5/c1-2-4-12(5-3-1)8-14-10-19(18-17-14)7-6-13-9-15-11-16-13/h1-5,9-11H,6-8H2,(H,15,16)
PubChem CID51354008
ChEMBLCHEMBL1688939
IUPHARN/A
BindingDB50418074
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8501Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
8502Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390

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