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

NameCHEMBL442773
Molecular formulaC21H31N7
IUPAC name2-[butyl-[4-[4-(dimethylamino)-N-ethyl-2-methylanilino]-6-methyl-1,3,5-triazin-2-yl]amino]acetonitrile
Molecular weight381.528
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.7
Synonyms(Butyl-{4-[(4-dimethylamino-2-methyl-phenyl)-ethyl-amino]-6-methyl-[1,3,5]triazin-2-yl}-amino)-acetonitrile
BDBM50074407
Inchi KeyAZAKRKXETQZRBN-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H31N7/c1-7-9-13-27(14-12-22)20-23-17(4)24-21(25-20)28(8-2)19-11-10-18(26(5)6)15-16(19)3/h10-11,15H,7-9,13-14H2,1-6H3
PubChem CID10571912
ChEMBLCHEMBL442773
IUPHARN/A
BindingDB50074407
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
17951Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444

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