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Ligand

NameCHEMBL3736513
Molecular formulaC22H30BrN7O5
IUPAC name(2S)-2-[[2-[(1S)-1-[(5-bromopyridine-3-carbonyl)amino]-3-methylbutyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight552.43
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP1.3
SynonymsSCHEMBL16154191
Inchi KeyAGTWYKXMPIDJBA-HOTGVXAUSA-N
Inchi IDInChI=1S/C22H30BrN7O5/c1-11(2)7-16(29-18(31)13-8-14(23)10-26-9-13)20-30-17(12(3)35-20)19(32)28-15(21(33)34)5-4-6-27-22(24)25/h8-11,15-16H,4-7H2,1-3H3,(H,28,32)(H,29,31)(H,33,34)(H4,24,25,27)/t15-,16-/m0/s1
PubChem CID117634967
ChEMBLCHEMBL3736513
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
521613C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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