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 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

NameBDBM195750
Molecular formulaC28H26F3N5O4
IUPAC name3-ethoxy-6-[4-(1,3-oxazol-5-yl)benzoyl]-2-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
Molecular weight553.542
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.6
SynonymsUS9206173, 104
Inchi KeyADBZYMOKGJVIQN-QGZVFWFLSA-N
Inchi IDInChI=1S/C28H26F3N5O4/c1-3-40-36-26(38)22-15-35(25(37)20-6-4-19(5-7-20)24-14-32-16-39-24)13-12-23(22)34-27(36)33-17(2)18-8-10-21(11-9-18)28(29,30)31/h4-11,14,16-17H,3,12-13,15H2,1-2H3,(H,33,34)/t17-/m1/s1
PubChem CID122197738
ChEMBLN/A
IUPHARN/A
BindingDB195750
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
557358Prolactin-releasing peptide receptorP49683PRLHRHomo sapiens (Human)370

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