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Ligand

NameCID 72713074
Molecular formulaC76H123N25O17
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-N-[(2S)-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]butanediamide
Molecular weight1658.98
Hydrogen bond acceptor21
Hydrogen bond donor27
XlogP-1.0
SynonymsN/A
Inchi KeyLTZAFDDHKCKLIF-OQXRNXRFSA-N
Inchi IDInChI=1S/C76H123N25O17/c1-11-40(7)59(99-70(115)55(33-45-21-25-48(105)26-22-45)96-67(112)56(34-46-36-85-37-89-46)97-63(108)49(90-43(10)103)16-13-27-86-74(79)80)71(116)98-57(35-58(77)106)68(113)95-54(31-39(5)6)69(114)100-60(41(8)12-2)72(117)101-61(42(9)102)73(118)92-51(18-15-29-88-76(83)84)65(110)94-53(30-38(3)4)66(111)91-50(17-14-28-87-75(81)82)64(109)93-52(62(78)107)32-44-19-23-47(104)24-20-44/h19-26,36-42,49-57,59-61,102,104-105H,11-18,27-35H2,1-10H3,(H2,77,106)(H2,78,107)(H,85,89)(H,90,103)(H,91,111)(H,92,118)(H,93,109)(H,94,110)(H,95,113)(H,96,112)(H,97,108)(H,98,116)(H,99,115)(H,100,114)(H,101,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t40-,41-,42+,49-,50-,51-,52-,53-,54-,55-,56-,57-,59-,60-,61-/m0/s1
PubChem CID72713074
ChEMBLCHEMBL2440186
IUPHARN/A
BindingDB50441954
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
196346Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
196345Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
196343Neuropeptide Y receptor type 4P50391NPY4RHomo sapiens (Human)375
196344Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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