Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-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 WDL-RF ATPbind DockRMSD DeepMSA FASPR

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameABT-724
Molecular formulaC17H19N5
IUPAC name2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole
Molecular weight293.374
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.2
Synonyms70006-24-5
UNII-4WV2575JWT
ABT724
4WV2575JWT
CHEMBL440687
[ Show all ]
Inchi KeyFRPJGTNLZNXQEX-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H19N5/c1-2-6-15-14(5-1)19-16(20-15)13-21-9-11-22(12-10-21)17-7-3-4-8-18-17/h1-8H,9-13H2,(H,19,20)
PubChem CID5025739
ChEMBLCHEMBL440687
IUPHARN/A
BindingDB50145075
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
855945-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
85597D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
85595D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
85596D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387

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