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Ligand

NameMLS000086404
Molecular formulaC25H25N3O6
IUPAC name4-[[12-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-10-yl]amino]butanoic acid
Molecular weight463.49
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP3.3
SynonymsBDBM37712
ZINC2457288
cid_3239469
AC1MMIWN
MolPort-007-586-479
[ Show all ]
Inchi KeyBBPLHURIVUXONI-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H25N3O6/c29-19(30)6-3-9-26-17-14-18(28-10-7-25(8-11-28)32-12-13-33-25)22-21-20(17)23(31)15-4-1-2-5-16(15)24(21)34-27-22/h1-2,4-5,14,26H,3,6-13H2,(H,29,30)
PubChem CID3239469
ChEMBLCHEMBL1309430
IUPHARN/A
BindingDB37712
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
19717fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350
19718N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351
19719Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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