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Ligand

NameCHEMBL265501
Molecular formulaC54H75N11O15S2
IUPAC name(3S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-4-[[(2S)-1-[[(2R)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Molecular weight1182.38
Hydrogen bond acceptor18
Hydrogen bond donor17
XlogP-2.4
SynonymsN/A
Inchi KeyAICCRIFSGADHKR-FSLKYBNLSA-N
Inchi IDInChI=1S/C54H75N11O15S2/c1-29(2)21-37(46(56)72)59-49(75)39(23-32-12-16-34(68)17-13-32)60-47(73)36(11-7-8-20-55)58-53(79)43(27-81)65-50(76)40(24-33-14-18-35(69)19-15-33)61-51(77)41(25-45(70)71)62-52(78)42(26-66)63-54(80)44(28-82)64-48(74)38(57-30(3)67)22-31-9-5-4-6-10-31/h4-6,9-10,12-19,29,36-44,66,68-69,81-82H,7-8,11,20-28,55H2,1-3H3,(H2,56,72)(H,57,67)(H,58,79)(H,59,75)(H,60,73)(H,61,77)(H,62,78)(H,63,80)(H,64,74)(H,65,76)(H,70,71)/t36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
PubChem CID44277929
ChEMBLCHEMBL265501
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
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GLASS IDNameUniProtGeneSpeciesLength
6097Glucagon receptorP30082GcgrRattus norvegicus (Rat)485

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