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Ligand

NameCHEMBL2373075
Molecular formulaC56H88N18O14S
IUPAC name(2S)-N-[(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]-2-[[2-[[(2S)-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]pentanediamide
Molecular weight1269.49
Hydrogen bond acceptor18
Hydrogen bond donor18
XlogP-3.4
SynonymsN/A
Inchi KeyUNFXPPKALMHWIW-PEZKAKHESA-N
Inchi IDInChI=1S/C56H88N18O14S/c1-29(2)19-39(54(86)71-37(48(60)80)16-18-89-6)72-55(87)41(21-33-23-61-28-66-33)69-45(78)26-65-56(88)47(30(3)4)74-49(81)31(5)67-53(85)40(20-32-22-62-36-13-8-7-11-34(32)36)73-52(84)38(14-15-43(59)76)68-44(77)25-64-51(83)42(27-75)70-46(79)24-63-50(82)35(58)12-9-10-17-57/h7-8,11,13,22-23,28-31,35,37-42,47,62,75H,9-10,12,14-21,24-27,57-58H2,1-6H3,(H2,59,76)(H2,60,80)(H,61,66)(H,63,82)(H,64,83)(H,65,88)(H,67,85)(H,68,77)(H,69,78)(H,70,79)(H,71,86)(H,72,87)(H,73,84)(H,74,81)/t31-,35-,37+,38-,39-,40-,41-,42-,47-/m0/s1
PubChem CID73354831
ChEMBLCHEMBL2373075
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
340843Gastrin-releasing peptide receptorP52500GrprRattus norvegicus (Rat)384

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