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Ligand

NameCHEMBL2373070
Molecular formulaC63H98N18O19S
IUPAC name2-[2-[[2-[[(5S)-5-amino-6-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2R)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-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]-6-oxohexyl]amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
Molecular weight1443.64
Hydrogen bond acceptor25
Hydrogen bond donor18
XlogP-11.1
SynonymsN/A
Inchi KeyBCXYJDBNNXOKNR-BKOCMMFTSA-N
Inchi IDInChI=1S/C63H98N18O19S/c1-35(2)23-45(61(98)74-43(56(66)93)16-22-101-6)76-62(99)47(25-39-27-67-34-71-39)73-49(83)28-70-63(100)55(36(3)4)78-57(94)37(5)72-60(97)46(24-38-26-69-42-13-8-7-11-40(38)42)77-59(96)44(14-15-48(65)82)75-58(95)41(64)12-9-10-17-68-50(84)29-80(31-52(87)88)20-18-79(30-51(85)86)19-21-81(32-53(89)90)33-54(91)92/h7-8,11,13,26-27,34-37,41,43-47,55,69H,9-10,12,14-25,28-33,64H2,1-6H3,(H2,65,82)(H2,66,93)(H,67,71)(H,68,84)(H,70,100)(H,72,97)(H,73,83)(H,74,98)(H,75,95)(H,76,99)(H,77,96)(H,78,94)(H,85,86)(H,87,88)(H,89,90)(H,91,92)/t37-,41-,43+,44-,45-,46-,47-,55-/m0/s1
PubChem CID73356376
ChEMBLCHEMBL2373070
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
20680Gastrin-releasing peptide receptorP52500GrprRattus norvegicus (Rat)384

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