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Ligand

NameCHEMBL3144556
Molecular formulaC83H111N19O24S2
IUPAC name2-[2-[[2-[[(5S)-6-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-[[7'-hydroxy-2'-[(E)-2-hydroxyprop-1-enyl]-3-oxospiro[2-benzofuran-1,4'-chromene]-5-yl]carbamothioylamino]-6-oxohexyl]amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
Molecular weight1823.03
Hydrogen bond acceptor30
Hydrogen bond donor21
XlogP-5.4
SynonymsN/A
Inchi KeyLCUJBYITJMDFRQ-ZWFXMWIFSA-N
Inchi IDInChI=1S/C83H111N19O24S2/c1-44(2)28-61(78(121)94-58(73(85)116)21-27-128-7)96-79(122)63(32-50-36-86-43-90-50)93-66(106)37-89-80(123)72(45(3)4)99-74(117)47(6)91-77(120)62(30-48-35-88-57-13-9-8-12-53(48)57)97-76(119)60(19-20-65(84)105)95-75(118)59(14-10-11-22-87-67(107)38-101(40-69(110)111)25-23-100(39-68(108)109)24-26-102(41-70(112)113)42-71(114)115)98-82(127)92-49-15-17-55-54(31-49)81(124)126-83(55)34-52(29-46(5)103)125-64-33-51(104)16-18-56(64)83/h8-9,12-13,15-18,29,31,33-36,43-45,47,58-63,72,88,103-104H,10-11,14,19-28,30,32,37-42H2,1-7H3,(H2,84,105)(H2,85,116)(H,86,90)(H,87,107)(H,89,123)(H,91,120)(H,93,106)(H,94,121)(H,95,118)(H,96,122)(H,97,119)(H,99,117)(H,108,109)(H,110,111)(H,112,113)(H,114,115)(H2,92,98,127)/b46-29+/t47-,58-,59-,60-,61-,62-,63-,72-,83?/m0/s1
PubChem CID90663987
ChEMBLCHEMBL3144556
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
184286Gastrin-releasing peptide receptorP52500GrprRattus norvegicus (Rat)384

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