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Ligand

NameCHEMBL1170229
Molecular formulaC43H63N11O7
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight846.047
Hydrogen bond acceptor10
Hydrogen bond donor10
XlogP-1.1
Synonyms(S)-2-((S)-2-((S)-2-((S)-1-((S)-6-amino-2-((S)-2-amino-3-phenylpropanamido)hexanoyl)pyrrolidine-2-carboxamido)-4-methylpentanamido)-3-(1H-indol-3-yl)propanamido)-5-guanidinopentanoic acid
BDBM50322637
Inchi KeyFSFGOLDNPJYQOR-VCAFKBFISA-N
Inchi IDInChI=1S/C43H63N11O7/c1-26(2)22-34(38(56)52-35(24-28-25-49-31-15-7-6-14-29(28)31)39(57)51-33(42(60)61)17-10-20-48-43(46)47)53-40(58)36-18-11-21-54(36)41(59)32(16-8-9-19-44)50-37(55)30(45)23-27-12-4-3-5-13-27/h3-7,12-15,25-26,30,32-36,49H,8-11,16-24,44-45H2,1-2H3,(H,50,55)(H,51,57)(H,52,56)(H,53,58)(H,60,61)(H4,46,47,48)/t30-,32-,33-,34-,35-,36-/m0/s1
PubChem CID49799104
ChEMBLCHEMBL1170229
IUPHARN/A
BindingDB50322637
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
86020C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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