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Ligand

NameCHEMBL262572
Molecular formulaC54H75N15O9S
IUPAC name(2S)-N-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-formylamino]-4-methylpentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanamide
Molecular weight1110.35
Hydrogen bond acceptor13
Hydrogen bond donor12
XlogP2.2
SynonymsN/A
Inchi KeyJKZRRHAWDNIKDU-YAXJHXEQSA-N
Inchi IDInChI=1S/C54H75N15O9S/c1-31(2)18-38(27-69(30-70)45(48(56)72)16-17-79-6)64-52(76)43(21-36-24-57-28-61-36)65-46(71)26-60-54(78)47(32(3)4)68-49(73)33(5)63-51(75)42(20-35-23-59-41-15-11-10-14-39(35)41)67-53(77)44(22-37-25-58-29-62-37)66-50(74)40(55)19-34-12-8-7-9-13-34/h7-15,23-25,28-33,38,40,42-45,47,59H,16-22,26-27,55H2,1-6H3,(H2,56,72)(H,57,61)(H,58,62)(H,60,78)(H,63,75)(H,64,76)(H,65,71)(H,66,74)(H,67,77)(H,68,73)/t33-,38-,40+,42-,43-,44-,45-,47-/m0/s1
PubChem CID44361864
ChEMBLCHEMBL262572
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
153485Gastrin-releasing peptide receptorP52500GrprRattus norvegicus (Rat)384

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