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Ligand

NameCHEMBL2059880
Molecular formulaC34H42N6O3S
IUPAC nameN-[(2R)-3-(1-benzothiophen-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
Molecular weight614.809
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.6
SynonymsBDBM50387513
Inchi KeyCCCSWRIKNOQGJG-GDLZYMKVSA-N
Inchi IDInChI=1S/C34H42N6O3S/c41-32(38-18-12-25(13-19-38)37-16-6-1-7-17-37)29(22-24-23-44-31-11-5-2-8-27(24)31)36-33(42)39-20-14-26(15-21-39)40-30-10-4-3-9-28(30)35-34(40)43/h2-5,8-11,23,25-26,29H,1,6-7,12-22H2,(H,35,43)(H,36,42)/t29-/m1/s1
PubChem CID70694802
ChEMBLCHEMBL2059880
IUPHARN/A
BindingDB50387513
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
38460Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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