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Ligand

NameCHEMBL1170438
Molecular formulaC37H52N10O7
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight748.886
Hydrogen bond acceptor9
Hydrogen bond donor10
XlogP-1.4
SynonymsBDBM50322645
(2S,5S,8S,14S,17S)-14-((1H-indol-3-yl)methyl)-17-amino-2-(3-guanidinopropyl)-8-isobutyl-5-methyl-4,7,10,13,16-pentaoxo-18-phenyl-3,6,9,12,15-pentaazaoctadecan-1-oic acid
Inchi KeyJZQOFPNVYJABMS-GMQHLUSMSA-N
Inchi IDInChI=1S/C37H52N10O7/c1-21(2)16-29(35(52)44-22(3)32(49)46-28(36(53)54)14-9-15-41-37(39)40)45-31(48)20-43-34(51)30(18-24-19-42-27-13-8-7-12-25(24)27)47-33(50)26(38)17-23-10-5-4-6-11-23/h4-8,10-13,19,21-22,26,28-30,42H,9,14-18,20,38H2,1-3H3,(H,43,51)(H,44,52)(H,45,48)(H,46,49)(H,47,50)(H,53,54)(H4,39,40,41)/t22-,26-,28-,29-,30-/m0/s1
PubChem CID49799144
ChEMBLCHEMBL1170438
IUPHARN/A
BindingDB50322645
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
163967C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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