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

NameSCHEMBL14663067
Molecular formulaC32H41FN8O
IUPAC name6-(5-cyclopropyl-2-ethyl-4-fluoropyrazol-3-yl)-2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
Molecular weight572.733
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.3
SynonymsUS8846656, 71-B
BDBM134601
Inchi KeyAUPXCCJGCDFWIR-XMMPIXPASA-N
Inchi IDInChI=1S/C32H41FN8O/c1-7-41-31(27(33)28(38-41)20-9-10-20)39-14-12-22-21(16-39)30(40-15-13-24(42-6)32(4,5)17-40)35-29(34-22)25-18(2)8-11-23-26(25)19(3)36-37-23/h8,11,20,24H,7,9-10,12-17H2,1-6H3,(H,36,37)/t24-/m1/s1
PubChem CID71240614
ChEMBLN/A
IUPHARN/A
BindingDB134601
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
557682C5a anaphylatoxin chemotactic receptor 1P21730C5AR1Homo sapiens (Human)350

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