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Ligand

NameCHEMBL2372474
Molecular formulaC60H107N11O12
IUPAC name(3S,6S,9S,12R,15S,18R,21R,24R,30S,33S)-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,10,12,15,19,25,28,30-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
Molecular weight1174.58
Hydrogen bond acceptor12
Hydrogen bond donor6
XlogP6.8
SynonymsBDBM50026943
Inchi KeyCQAFKYAZKRDXKE-KCJSDLITSA-N
Inchi IDInChI=1S/C60H107N11O12/c1-24-25-26-38(14)50(73)49-55(78)63-40(16)56(79)66(18)31-46(72)67(19)43(28-33(4)5)54(77)65-47(36(10)11)59(82)69(21)44(29-34(6)7)52(75)61-39(15)51(74)62-41(17)57(80)68(20)45(30-35(8)9)53(76)64-42(27-32(2)3)58(81)70(22)48(37(12)13)60(83)71(49)23/h24-25,32-45,47-50,73H,26-31H2,1-23H3,(H,61,75)(H,62,74)(H,63,78)(H,64,76)(H,65,77)/b25-24+/t38-,39+,40+,41-,42+,43-,44-,45+,47-,48+,49+,50-/m1/s1
PubChem CID73353256
ChEMBLCHEMBL2372474
IUPHARN/A
BindingDB50026943
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
47866fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350

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