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Ligand

NameCHEMBL238396
Molecular formulaC36H63N11O8
IUPAC nameN-[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1,2-oxazole-5-carboxamide
Molecular weight777.969
Hydrogen bond acceptor10
Hydrogen bond donor9
XlogP1.7
SynonymsBDBM50440850
Inchi KeyBQZRIEZJWTYOFA-DAOOESDTSA-N
Inchi IDInChI=1S/C36H63N11O8/c1-9-21(7)28(30(37)49)46-32(51)24(16-19(3)4)44-31(50)23(12-11-14-40-36(38)39)43-27(48)18-41-35(54)29(22(8)10-2)47-33(52)25(17-20(5)6)45-34(53)26-13-15-42-55-26/h13,15,19-25,28-29H,9-12,14,16-18H2,1-8H3,(H2,37,49)(H,41,54)(H,43,48)(H,44,50)(H,45,53)(H,46,51)(H,47,52)(H4,38,39,40)/t21-,22-,23-,24-,25-,28-,29-/m0/s1
PubChem CID44433916
ChEMBLCHEMBL238396
IUPHARN/A
BindingDB50440850
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
30796Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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