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

Nameabt-702
Molecular formulaC22H19BrN6O
IUPAC name5-(3-bromophenyl)-7-(6-morpholin-4-ylpyridin-3-yl)pyrido[2,3-d]pyrimidin-4-amine
Molecular weight463.339
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.4
Synonyms2P206WS5B3
CTK5I8409
SCHEMBL1914142
5-(3-bromophenyl)-7-(6-morpholin-4-ylpyridin-3-yl)pyrido[2,3-d]pyrimidin-4-amine
AKOS030589605
[ Show all ]
Inchi KeyRQCXKDWOCUJWQZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H19BrN6O/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28)
PubChem CID1973
ChEMBLN/A
IUPHARN/A
BindingDB50094703
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 43
Page:  / 3 

GLASS IDNameUniProtGeneSpeciesLength
3024225-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
5566775-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
3024185-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
3024125-hydroxytryptamine receptor 5AP35364Htr5aRattus norvegicus (Rat)357
3024155-hydroxytryptamine receptor 6P31388Htr6Rattus norvegicus (Rat)436
5566765-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448
302419Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
302434Alpha-2C adrenergic receptorP22086Adra2cRattus norvegicus (Rat)458
556669B2 bradykinin receptorP25023Bdkrb2Rattus norvegicus (Rat)396
302430Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
461817Beta-2 adrenergic receptorP10608Adrb2Rattus norvegicus (Rat)418
302416Bombesin receptor subtype-3Q8K418Brs3Rattus norvegicus (Rat)399
302405Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473
556674Cannabinoid receptor 2Q9QZN9Cnr2Rattus norvegicus (Rat)360
302435D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
302436D(1B) dopamine receptorP25115Drd5Rattus norvegicus (Rat)475
556671D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
556670D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446
302404D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387
302427Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372

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