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Ligand

NameCHEMBL2059896
Molecular formulaC35H43N5O3S
IUPAC nameN-[(2R)-3-(1-benzothiophen-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxamide
Molecular weight613.821
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.7
SynonymsSCHEMBL13052611
BDBM50387516
Inchi KeyBPHSSVHADQDIJG-SSEXGKCCSA-N
Inchi IDInChI=1S/C35H43N5O3S/c41-32-23-35(28-9-3-4-10-29(28)36-32)14-20-40(21-15-35)34(43)37-30(22-25-24-44-31-11-5-2-8-27(25)31)33(42)39-18-12-26(13-19-39)38-16-6-1-7-17-38/h2-5,8-11,24,26,30H,1,6-7,12-23H2,(H,36,41)(H,37,43)/t30-/m1/s1
PubChem CID24756611
ChEMBLCHEMBL2059896
IUPHARN/A
BindingDB50387516
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
29567Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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