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

NameCHEMBL1762265
Molecular formulaC17H25N3O4S
IUPAC nametert-butyl N-[4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]pyridin-3-yl]sulfonylcarbamate
Molecular weight367.464
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.3
SynonymsBDBM50340982
(+/-)-tert-butyl 4-(exo)-bicyclo[2.2.1]heptan-2-ylamino)pyridin-3-ylsulfonylcarbamate
Inchi KeyJUQIWAFSXRWLSO-OUCADQQQSA-N
Inchi IDInChI=1S/C17H25N3O4S/c1-17(2,3)24-16(21)20-25(22,23)15-10-18-7-6-13(15)19-14-9-11-4-5-12(14)8-11/h6-7,10-12,14H,4-5,8-9H2,1-3H3,(H,18,19)(H,20,21)/t11-,12+,14+/m0/s1
PubChem CID54584421
ChEMBLCHEMBL1762265
IUPHARN/A
BindingDB50340982
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
160331Bombesin receptor subtype-3O54798Brs3Mus musculus (Mouse)399
160332Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399

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