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Ligand

NameCHEMBL1170638
Molecular formulaC34H57N9O8
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight719.885
Hydrogen bond acceptor10
Hydrogen bond donor10
XlogP-2.7
SynonymsBDBM50322649
(2S,5S,8S,11S,14S,17S)-17-amino-2-(3-guanidinopropyl)-11-((R)-1-hydroxyethyl)-8,14-diisobutyl-5-methyl-4,7,10,13,16-pentaoxo-18-phenyl-3,6,9,12,15-pentaazaoctadecan-1-oic acid
Inchi KeyOBDAANRZAJHREA-XCPBJYSRSA-N
Inchi IDInChI=1S/C34H57N9O8/c1-18(2)15-25(30(47)39-20(5)28(45)40-24(33(50)51)13-10-14-38-34(36)37)42-32(49)27(21(6)44)43-31(48)26(16-19(3)4)41-29(46)23(35)17-22-11-8-7-9-12-22/h7-9,11-12,18-21,23-27,44H,10,13-17,35H2,1-6H3,(H,39,47)(H,40,45)(H,41,46)(H,42,49)(H,43,48)(H,50,51)(H4,36,37,38)/t20-,21+,23-,24-,25-,26-,27-/m0/s1
PubChem CID46911429
ChEMBLCHEMBL1170638
IUPHARN/A
BindingDB50322649
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
236881C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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