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Ligand

NameCHEMBL3736195
Molecular formulaC24H35N7O5
IUPAC name(2S)-5-(diaminomethylideneamino)-2-[[2-[(1S,2S)-1-[[4-(dimethylamino)benzoyl]amino]-2-methylbutyl]-1,3-oxazole-4-carbonyl]amino]pentanoic acid
Molecular weight501.588
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP1.4
SynonymsSCHEMBL16156882
Inchi KeyNVDLCGIHQBXLOP-FNHZYXHNSA-N
Inchi IDInChI=1S/C24H35N7O5/c1-5-14(2)19(30-20(32)15-8-10-16(11-9-15)31(3)4)22-29-18(13-36-22)21(33)28-17(23(34)35)7-6-12-27-24(25)26/h8-11,13-14,17,19H,5-7,12H2,1-4H3,(H,28,33)(H,30,32)(H,34,35)(H4,25,26,27)/t14-,17-,19-/m0/s1
PubChem CID71565508
ChEMBLCHEMBL3736195
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
528198C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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