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Ligand

NameCHEMBL1689563
Molecular formulaC33H56N10O6
IUPAC name4-amino-N-[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-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]benzamide
Molecular weight688.875
Hydrogen bond acceptor8
Hydrogen bond donor9
XlogP1.2
SynonymsBDBM50339248
4-amino-N-((4S,7S,13S,16S)-13-sec-butyl-4-carbamoyl-7-(3-guanidinopropyl)-2,18-dimethyl-6,9,12,15-tetraoxo-5,8,11,14-tetraazanonadecan-16-yl)benzamide
Inchi KeyHIPQBJQFUKXPFP-HNRCJHGASA-N
Inchi IDInChI=1S/C33H56N10O6/c1-7-20(6)27(43-31(48)25(16-19(4)5)42-29(46)21-10-12-22(34)13-11-21)32(49)39-17-26(44)40-23(9-8-14-38-33(36)37)30(47)41-24(28(35)45)15-18(2)3/h10-13,18-20,23-25,27H,7-9,14-17,34H2,1-6H3,(H2,35,45)(H,39,49)(H,40,44)(H,41,47)(H,42,46)(H,43,48)(H4,36,37,38)/t20-,23-,24-,25-,27-/m0/s1
PubChem CID51351409
ChEMBLCHEMBL1689563
IUPHARN/A
BindingDB50339248
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
115937Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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