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Ligand

NameCHEMBL1170223
Molecular formulaC35H58N10O7
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]hexanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight730.912
Hydrogen bond acceptor10
Hydrogen bond donor9
XlogP-3.9
Synonyms(S)-2-((S)-2-((S)-2-((S)-1-((S)-6-amino-2-((S)-2-amino-3-phenylpropanamido)hexanoyl)pyrrolidine-2-carboxamido)hexanamido)propanamido)-5-guanidinopentanoic acid
BDBM50322636
Inchi KeyLCNIJAPGZDYDRQ-LSXSSXCESA-N
Inchi IDInChI=1S/C35H58N10O7/c1-3-4-14-25(31(48)41-22(2)29(46)44-27(34(51)52)16-10-19-40-35(38)39)42-32(49)28-17-11-20-45(28)33(50)26(15-8-9-18-36)43-30(47)24(37)21-23-12-6-5-7-13-23/h5-7,12-13,22,24-28H,3-4,8-11,14-21,36-37H2,1-2H3,(H,41,48)(H,42,49)(H,43,47)(H,44,46)(H,51,52)(H4,38,39,40)/t22-,24-,25-,26-,27-,28-/m0/s1
PubChem CID46855499
ChEMBLCHEMBL1170223
IUPHARN/A
BindingDB50322636
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
184110C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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