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Ligand

NameCHEMBL3736432
Molecular formulaC24H35N7O5
IUPAC name(2S)-5-(diaminomethylideneamino)-2-[[5-methyl-2-[(1S)-3-methyl-1-[(4-methylphenyl)carbamoylamino]butyl]-1,3-oxazole-4-carbonyl]amino]pentanoic acid
Molecular weight501.588
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP1.8
SynonymsSCHEMBL16154190
Inchi KeyNHUGXMGRMIMXFG-ROUUACIJSA-N
Inchi IDInChI=1S/C24H35N7O5/c1-13(2)12-18(30-24(35)28-16-9-7-14(3)8-10-16)21-31-19(15(4)36-21)20(32)29-17(22(33)34)6-5-11-27-23(25)26/h7-10,13,17-18H,5-6,11-12H2,1-4H3,(H,29,32)(H,33,34)(H4,25,26,27)(H2,28,30,35)/t17-,18-/m0/s1
PubChem CID117634966
ChEMBLCHEMBL3736432
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
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GLASS IDNameUniProtGeneSpeciesLength
527923C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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