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

NameCHEMBL508170
Molecular formulaC26H34N4O2
IUPAC name4-N-cycloheptyl-6,7-dimethoxy-2-N-methyl-2-N-(2-phenylethyl)quinazoline-2,4-diamine
Molecular weight434.584
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.6
SynonymsN/A
Inchi KeyBDRBSUWFRFWYHA-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H34N4O2/c1-30(16-15-19-11-7-6-8-12-19)26-28-22-18-24(32-3)23(31-2)17-21(22)25(29-26)27-20-13-9-4-5-10-14-20/h6-8,11-12,17-18,20H,4-5,9-10,13-16H2,1-3H3,(H,27,28,29)
PubChem CID44561293
ChEMBLCHEMBL508170
IUPHARN/A
BindingDBN/A
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
21179C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360

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