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Ligand

NameCHEMBL1170349
Molecular formulaC34H58N12O8
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight762.914
Hydrogen bond acceptor11
Hydrogen bond donor12
XlogP-5.2
SynonymsBDBM50322642
(6S,9S,12S,15S,18S)-1,23-diamino-18-((S)-2-amino-3-phenylpropanamido)-15-((R)-1-hydroxyethyl)-1,23-diimino-12-isobutyl-9-methyl-8,11,14,17-tetraoxo-2,7,10,13,16,22-hexaazatricosane-6-carboxylic acid
Inchi KeyIJGMFDZGHOTEED-KUYDZDNESA-N
Inchi IDInChI=1S/C34H58N12O8/c1-18(2)16-25(30(51)42-19(3)27(48)44-24(32(53)54)13-9-15-41-34(38)39)45-31(52)26(20(4)47)46-29(50)23(12-8-14-40-33(36)37)43-28(49)22(35)17-21-10-6-5-7-11-21/h5-7,10-11,18-20,22-26,47H,8-9,12-17,35H2,1-4H3,(H,42,51)(H,43,49)(H,44,48)(H,45,52)(H,46,50)(H,53,54)(H4,36,37,40)(H4,38,39,41)/t19-,20+,22-,23-,24-,25-,26-/m0/s1
PubChem CID49799142
ChEMBLCHEMBL1170349
IUPHARN/A
BindingDB50322642
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.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
134530C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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