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Ligand

NameCHEMBL1170035
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]-4-methylpentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight730.912
Hydrogen bond acceptor10
Hydrogen bond donor9
XlogP-4.0
SynonymsBDBM50322625
(S)-2-((S)-2-((S)-2-((S)-1-((S)-6-amino-2-((S)-2-amino-3-phenylpropanamido)hexanoyl)pyrrolidine-2-carboxamido)-4-methylpentanamido)propanamido)-5-guanidinopentanoic acid
Inchi KeyILRXQEJJULBHDR-LSXSSXCESA-N
Inchi IDInChI=1S/C35H58N10O7/c1-21(2)19-27(31(48)41-22(3)29(46)43-26(34(51)52)14-9-17-40-35(38)39)44-32(49)28-15-10-18-45(28)33(50)25(13-7-8-16-36)42-30(47)24(37)20-23-11-5-4-6-12-23/h4-6,11-12,21-22,24-28H,7-10,13-20,36-37H2,1-3H3,(H,41,48)(H,42,47)(H,43,46)(H,44,49)(H,51,52)(H4,38,39,40)/t22-,24-,25-,26-,27-,28-/m0/s1
PubChem CID49799085
ChEMBLCHEMBL1170035
IUPHARN/A
BindingDB50322625
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
136286C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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