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Ligand

NameCHEMBL2018517
Molecular formulaC36H47N7O3
IUPAC name(2S)-2-[(7-methyl-1H-indazol-5-yl)methyl]-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,4-dione
Molecular weight625.818
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.5
SynonymsBDBM50380812
Inchi KeyBIXIUWBEHSVRHZ-NDEPHWFRSA-N
Inchi IDInChI=1S/C36H47N7O3/c1-25-19-26(21-29-23-37-39-34(25)29)20-28(35(45)42-17-9-30(10-18-42)40-13-5-2-6-14-40)22-33(44)41-15-11-31(12-16-41)43-24-27-7-3-4-8-32(27)38-36(43)46/h3-4,7-8,19,21,23,28,30-31H,2,5-6,9-18,20,22,24H2,1H3,(H,37,39)(H,38,46)/t28-/m0/s1
PubChem CID57404535
ChEMBLCHEMBL2018517
IUPHARN/A
BindingDB50380812
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
24804Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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