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Ligand

NameCHEMBL2373081
Molecular formulaC49H77N15O10S
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-[[(2S)-2,6-diaminohexanoyl]amino]pentanediamide
Molecular weight1068.31
Hydrogen bond acceptor14
Hydrogen bond donor14
XlogP-0.8
SynonymsN/A
Inchi KeySFICNTVAALGVSP-RRPZYCHUSA-N
Inchi IDInChI=1S/C49H77N15O10S/c1-26(2)19-36(47(72)60-34(42(53)67)16-18-75-6)62-48(73)38(21-30-23-54-25-57-30)59-40(66)24-56-49(74)41(27(3)4)64-43(68)28(5)58-46(71)37(20-29-22-55-33-13-8-7-11-31(29)33)63-45(70)35(14-15-39(52)65)61-44(69)32(51)12-9-10-17-50/h7-8,11,13,22-23,25-28,32,34-38,41,55H,9-10,12,14-21,24,50-51H2,1-6H3,(H2,52,65)(H2,53,67)(H,54,57)(H,56,74)(H,58,71)(H,59,66)(H,60,72)(H,61,69)(H,62,73)(H,63,70)(H,64,68)/t28-,32-,34+,35-,36-,37-,38-,41-/m0/s1
PubChem CID73345755
ChEMBLCHEMBL2373081
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
312851Gastrin-releasing peptide receptorP52500GrprRattus norvegicus (Rat)384

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