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Ligand

NameCID 73354074
Molecular formulaC80H127N25O16
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-N-[(2S)-1-[[(2S,3S)-1-[[(1R,3S)-3-[[(2S)-1-[[(1R,3S)-3-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]-2,2-dimethylcyclobutyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]-2,2-dimethylcyclobutyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]butanediamide
Molecular weight1695.06
Hydrogen bond acceptor20
Hydrogen bond donor26
XlogP0.2
SynonymsN/A
Inchi KeyMTFGLKCUHOHWPI-ZEOIPKQCSA-N
Inchi IDInChI=1S/C80H127N25O16/c1-12-41(5)62(104-73(119)56(33-45-22-26-48(108)27-23-45)99-70(116)57(34-46-38-89-39-93-46)100-67(113)51(94-43(7)106)17-14-28-90-76(83)84)74(120)101-58(37-61(81)109)71(117)98-55(31-40(3)4)72(118)105-63(42(6)13-2)75(121)103-60-36-50(80(60,10)11)66(112)96-53(19-16-30-92-78(87)88)69(115)102-59-35-49(79(59,8)9)65(111)95-52(18-15-29-91-77(85)86)68(114)97-54(64(82)110)32-44-20-24-47(107)25-21-44/h20-27,38-42,49-60,62-63,107-108H,12-19,28-37H2,1-11H3,(H2,81,109)(H2,82,110)(H,89,93)(H,94,106)(H,95,111)(H,96,112)(H,97,114)(H,98,117)(H,99,116)(H,100,113)(H,101,120)(H,102,115)(H,103,121)(H,104,119)(H,105,118)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t41-,42-,49+,50+,51-,52-,53-,54-,55-,56-,57-,58-,59+,60+,62-,63-/m0/s1
PubChem CID73354074
ChEMBLCHEMBL2440193
IUPHARN/A
BindingDB50441964
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
213657Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
213656Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
213655Neuropeptide Y receptor type 4P50391NPY4RHomo sapiens (Human)375
213658Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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