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Ligand

Name55749-98-9
Molecular formulaC38H57N11O7S
IUPAC name(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylpentanamide
Molecular weight812.004
Hydrogen bond acceptor10
Hydrogen bond donor10
XlogP1.0
SynonymsH-Trp-Ala-Val-Gly-His-Leu-Met-NH2
(S)-2-((2S,8S,11S,14S)-2-((1H-imidazol-4-yl)methyl)-14-amino-15-(1H-indol-3-yl)-8-isopropyl-11-methyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecanamido)-N-((S)-1-amino-4-(methylthio)-1-oxobutan-2-yl)-4-methylpentanamide
ZINC150340156
SCHEMBL14390132
CHEMBL3904006
[ Show all ]
Inchi KeyFDJOMAIZVIIHGU-XLJSZMODSA-N
Inchi IDInChI=1S/C38H57N11O7S/c1-20(2)13-29(36(54)47-28(33(40)51)11-12-57-6)48-37(55)30(15-24-17-41-19-44-24)46-31(50)18-43-38(56)32(21(3)4)49-34(52)22(5)45-35(53)26(39)14-23-16-42-27-10-8-7-9-25(23)27/h7-10,16-17,19-22,26,28-30,32,42H,11-15,18,39H2,1-6H3,(H2,40,51)(H,41,44)(H,43,56)(H,45,53)(H,46,50)(H,47,54)(H,48,55)(H,49,52)/t22-,26-,28-,29-,30-,32-/m0/s1
PubChem CID10033336
ChEMBLCHEMBL3904006
IUPHARN/A
BindingDBN/A
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
537833Gastrin-releasing peptide receptorP30550GRPRHomo sapiens (Human)384
537834Neuromedin-B receptorP24053NmbrRattus norvegicus (Rat)390

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