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Ligand

NameCHEMBL229005
Molecular formulaC24H24F2N4O4
IUPAC name(2R)-2-[[5-[bis(3-fluorophenyl)methyl]furan-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight470.477
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP3.0
SynonymsBDBM50422999
Inchi KeyBJWWLNLMUDKISN-GOSISDBHSA-N
Inchi IDInChI=1S/C24H24F2N4O4/c25-16-6-1-4-14(12-16)21(15-5-2-7-17(26)13-15)19-9-10-20(34-19)22(31)30-18(23(32)33)8-3-11-29-24(27)28/h1-2,4-7,9-10,12-13,18,21H,3,8,11H2,(H,30,31)(H,32,33)(H4,27,28,29)/t18-/m1/s1
PubChem CID44426495
ChEMBLCHEMBL229005
IUPHARN/A
BindingDB50422999
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
25524C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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