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Ligand

NameCHEMBL3734951
Molecular formulaC24H35N7O5
IUPAC name(2S)-2-[[2-[(1S)-1-(benzylcarbamoylamino)-3-methylbutyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight501.588
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP1.3
SynonymsSCHEMBL16154194
Inchi KeyNERXLPIHGJNYTC-ROUUACIJSA-N
Inchi IDInChI=1S/C24H35N7O5/c1-14(2)12-18(30-24(35)28-13-16-8-5-4-6-9-16)21-31-19(15(3)36-21)20(32)29-17(22(33)34)10-7-11-27-23(25)26/h4-6,8-9,14,17-18H,7,10-13H2,1-3H3,(H,29,32)(H,33,34)(H4,25,26,27)(H2,28,30,35)/t17-,18-/m0/s1
PubChem CID117634970
ChEMBLCHEMBL3734951
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
527861C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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