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Ligand

NameCHEMBL519421
Molecular formulaC27H30N6O5
IUPAC name2-[3-[2-(dimethylamino)-2-oxoethyl]-4,6-dimethyl-2-oxobenzimidazol-1-yl]-N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide
Molecular weight518.574
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP1.2
SynonymsBDBM50246312
(R)-2-(5,7-dimethyl-3-(2-(3-methyl-2,5-dioxo-1'',3''-dihydrospiro[imidazolidine-4,2''-indene]-5''-ylamino)-2-oxoethyl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N,N-dimethylacetamide
Inchi KeyBQHLHZHONFUTTC-HHHXNRCGSA-N
Inchi IDInChI=1S/C27H30N6O5/c1-15-8-16(2)23-20(9-15)32(26(38)33(23)14-22(35)30(3)4)13-21(34)28-19-7-6-17-11-27(12-18(17)10-19)24(36)29-25(37)31(27)5/h6-10H,11-14H2,1-5H3,(H,28,34)(H,29,36,37)/t27-/m1/s1
PubChem CID44593445
ChEMBLCHEMBL519421
IUPHARN/A
BindingDB50246312
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
30287Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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