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

NameCHEMBL353973
Molecular formulaC17H22BrIN4
IUPAC name2-N-(2-bromo-4-iodophenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine
Molecular weight489.199
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.5
SynonymsN*2*-(2-Bromo-4-iodo-phenyl)-N*2*,N*4*,N*4*-triethyl-6-methyl-pyrimidine-2,4-diamine
2-[Ethyl(2-bromo-4-iodophenyl)amino]-4-(diethylamino)-6-methylpyrimidine
BDBM50074393
Inchi KeyBEDIYAIJWSUPPK-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H22BrIN4/c1-5-22(6-2)16-10-12(4)20-17(21-16)23(7-3)15-9-8-13(19)11-14(15)18/h8-11H,5-7H2,1-4H3
PubChem CID10576982
ChEMBLCHEMBL353973
IUPHARN/A
BindingDB50074393
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
21467Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417