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

NameCHEMBL137123
Molecular formulaC19H27N5
IUPAC name2-N-(cyclopropylmethyl)-4-N-(2,6-dimethylphenyl)-6-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
Molecular weight325.46
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.1
SynonymsBDBM50054237
N-Cyclopropylmethyl-N''-(2,6-dimethyl-phenyl)-6-methyl-N-propyl-[1,3,5]triazine-2,4-diamine
Inchi KeyATMBQVWNGYMYOK-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H27N5/c1-5-11-24(12-16-9-10-16)19-21-15(4)20-18(23-19)22-17-13(2)7-6-8-14(17)3/h6-8,16H,5,9-12H2,1-4H3,(H,20,21,22,23)
PubChem CID10782323
ChEMBLCHEMBL137123
IUPHARN/A
BindingDB50054237
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
14099Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444

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