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

NameML315
Molecular formulaC18H13Cl2N3O2
IUPAC name5-(1,3-benzodioxol-5-yl)-N-[(3,5-dichlorophenyl)methyl]pyrimidin-4-amine
Molecular weight374.221
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.7
SynonymsBDBM50435474
CHEMBL1885748
NCGC00241342-02
5-(benzo[d][1,3]dioxol-5-yl)-N-(3,5-dichlorobenzyl)pyrimidin-4-amine
KSC-14-101
[ Show all ]
Inchi KeyJQSJAVBMIMDUFO-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H13Cl2N3O2/c19-13-3-11(4-14(20)6-13)7-22-18-15(8-21-9-23-18)12-1-2-16-17(5-12)25-10-24-16/h1-6,8-9H,7,10H2,(H,21,22,23)
PubChem CID46926514
ChEMBLCHEMBL1885748
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 35
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
1575635-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1575725-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
157589Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
157573Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
447907Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
157580Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
157583Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
157591Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
157569Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
157564B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
157578B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
157590Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
157584Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
157592Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
157582Cysteinyl leukotriene receptor 1Q9Y271CYSLTR1Homo sapiens (Human)337
157577D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
157567D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
157565D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
157587Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
157586Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442

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