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Ligand

NameCHEMBL3736020
Molecular formulaC26H36N6O5
IUPAC name(2S)-5-(diaminomethylideneamino)-2-[[2-[(1S,2S)-2-methyl-1-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butyl]-1,3-oxazole-4-carbonyl]amino]pentanoic acid
Molecular weight512.611
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP2.2
SynonymsSCHEMBL14952203
Inchi KeyIGMASZBOANICEF-NMCQPPDNSA-N
Inchi IDInChI=1S/C26H36N6O5/c1-3-15(2)21(32-22(33)18-11-6-9-16-8-4-5-10-17(16)18)24-31-20(14-37-24)23(34)30-19(25(35)36)12-7-13-29-26(27)28/h4-5,8,10,14-15,18-19,21H,3,6-7,9,11-13H2,1-2H3,(H,30,34)(H,32,33)(H,35,36)(H4,27,28,29)/t15-,18?,19-,21-/m0/s1
PubChem CID89570392
ChEMBLCHEMBL3736020
IUPHARN/A
BindingDBN/A
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
525349C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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