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Ligand

NameCHEMBL373893
Molecular formulaC26H29N3O5S
IUPAC nameethyl 4-[[6-[(2-methylbenzoyl)amino]naphthalen-2-yl]sulfonylamino]piperidine-1-carboxylate
Molecular weight495.594
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.2
SynonymsBDBM50203867
4-[6-(2-methyl-benzoylamino)-naphthalene-2-sulfonylamino]-piperidine-1-carboxylic acid ethyl ester
Inchi KeyLGFZGHXHUBICGF-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H29N3O5S/c1-3-34-26(31)29-14-12-21(13-15-29)28-35(32,33)23-11-9-19-16-22(10-8-20(19)17-23)27-25(30)24-7-5-4-6-18(24)2/h4-11,16-17,21,28H,3,12-15H2,1-2H3,(H,27,30)
PubChem CID44419086
ChEMBLCHEMBL373893
IUPHARN/A
BindingDB50203867
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
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GLASS IDNameUniProtGeneSpeciesLength
186589C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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