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

NameBDBM195751
Molecular formulaC26H24F3N5O3S
IUPAC name3-ethoxy-6-(thieno[2,3-b]pyridine-2-carbonyl)-2-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
Molecular weight543.565
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP4.1
SynonymsUS9206173, 121
Inchi KeyHHJIRLUNLPSAJO-OAHLLOKOSA-N
Inchi IDInChI=1S/C26H24F3N5O3S/c1-3-37-34-23(35)19-14-33(24(36)21-13-17-5-4-11-30-22(17)38-21)12-10-20(19)32-25(34)31-15(2)16-6-8-18(9-7-16)26(27,28)29/h4-9,11,13,15H,3,10,12,14H2,1-2H3,(H,31,32)/t15-/m1/s1
PubChem CID122197739
ChEMBLN/A
IUPHARN/A
BindingDB195751
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
560842Prolactin-releasing peptide receptorP49683PRLHRHomo sapiens (Human)370

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