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Ligand

NameCHEMBL1762250
Molecular formulaC18H28N4O3S
IUPAC name1-[4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]pyridin-3-yl]sulfonyl-3-(2-methylbutan-2-yl)urea
Molecular weight380.507
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP3.2
SynonymsBDBM50340964
(+/-)-4-((exo)-bicyclo[2.2.1]heptan-2-ylamino)-N-(tert-pentylcarbamoyl)pyridine-3-sulfonamide
Inchi KeyGLDQUPKNVVPTGP-GZBFAFLISA-N
Inchi IDInChI=1S/C18H28N4O3S/c1-4-18(2,3)21-17(23)22-26(24,25)16-11-19-8-7-14(16)20-15-10-12-5-6-13(15)9-12/h7-8,11-13,15H,4-6,9-10H2,1-3H3,(H,19,20)(H2,21,22,23)/t12-,13+,15+/m0/s1
PubChem CID54580461
ChEMBLCHEMBL1762250
IUPHARN/A
BindingDB50340964
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
99221Bombesin receptor subtype-3O54798Brs3Mus musculus (Mouse)399
99222Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399

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