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Ligand

NameCHEMBL1170639
Molecular formulaC32H53N9O7
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight675.832
Hydrogen bond acceptor9
Hydrogen bond donor9
XlogP-2.1
SynonymsBDBM50322652
(2S,5S,8S,14S,17S)-17-amino-2-(3-guanidinopropyl)-8,14-diisobutyl-5-methyl-4,7,10,13,16-pentaoxo-18-phenyl-3,6,9,12,15-pentaazaoctadecan-1-oic acid
Inchi KeyBLMNEXIOLBBCMK-NPJMLQJUSA-N
Inchi IDInChI=1S/C32H53N9O7/c1-18(2)14-24(41-28(44)22(33)16-21-10-7-6-8-11-21)29(45)37-17-26(42)39-25(15-19(3)4)30(46)38-20(5)27(43)40-23(31(47)48)12-9-13-36-32(34)35/h6-8,10-11,18-20,22-25H,9,12-17,33H2,1-5H3,(H,37,45)(H,38,46)(H,39,42)(H,40,43)(H,41,44)(H,47,48)(H4,34,35,36)/t20-,22-,23-,24-,25-/m0/s1
PubChem CID49799147
ChEMBLCHEMBL1170639
IUPHARN/A
BindingDB50322652
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
26804C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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