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Ligand

NameCHEMBL1172879
Molecular formulaC35H57N9O7
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight715.897
Hydrogen bond acceptor9
Hydrogen bond donor8
XlogP-2.4
SynonymsBDBM50322628
(S)-2-((S)-2-((S)-2-((S)-1-((S)-2-((S)-2-amino-3-phenylpropanamido)-4-methylpentanoyl)pyrrolidine-2-carboxamido)-4-methylpentanamido)propanamido)-5-guanidinopentanoic acid
Inchi KeyHQAUWHJHJSFZOL-LSXSSXCESA-N
Inchi IDInChI=1S/C35H57N9O7/c1-20(2)17-26(31(47)40-22(5)29(45)41-25(34(50)51)13-9-15-39-35(37)38)42-32(48)28-14-10-16-44(28)33(49)27(18-21(3)4)43-30(46)24(36)19-23-11-7-6-8-12-23/h6-8,11-12,20-22,24-28H,9-10,13-19,36H2,1-5H3,(H,40,47)(H,41,45)(H,42,48)(H,43,46)(H,50,51)(H4,37,38,39)/t22-,24-,25-,26-,27-,28-/m0/s1
PubChem CID49799093
ChEMBLCHEMBL1172879
IUPHARN/A
BindingDB50322628
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
121212C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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