Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL3899595
Molecular formulaC33H42N6O
IUPAC name2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(3S,4S)-4-methoxy-3-methylpiperidin-1-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
Molecular weight538.74
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.7
SynonymsN/A
Inchi KeyBSVQZQJKSVHJKW-ZTOMLWHTSA-N
Inchi IDInChI=1S/C33H42N6O/c1-19(2)24-10-8-20(3)28(16-24)38-14-12-26-25(18-38)33(39-15-13-29(40-7)22(5)17-39)35-32(34-26)30-21(4)9-11-27-31(30)23(6)36-37-27/h8-11,16,19,22,29H,12-15,17-18H2,1-7H3,(H,36,37)/t22-,29-/m0/s1
PubChem CID134134380
ChEMBLCHEMBL3899595
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
548257C5a anaphylatoxin chemotactic receptor 1P21730C5AR1Homo sapiens (Human)350

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