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Ligand

NameCID 44439571
Molecular formulaC81H123N27O18
IUPAC name(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-(2,3-dihydro-1H-indole-2-carbonylamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]pentanediamide
Molecular weight1763.05
Hydrogen bond acceptor23
Hydrogen bond donor29
XlogP-2.0
SynonymsN/A
Inchi KeyBSFDZORNIDYJQQ-DFIUBYNJSA-N
Inchi IDInChI=1S/C81H123N27O18/c1-40(2)31-56(102-72(120)58(34-45-20-24-49(111)25-21-45)104-74(122)60(36-47-38-91-39-95-47)105-69(117)52(16-11-29-93-80(87)88)98-73(121)59-35-46-13-8-9-14-50(46)96-59)71(119)106-61(37-63(83)113)75(123)103-57(32-41(3)4)76(124)107-64(42(5)6)77(125)108-65(43(7)109)78(126)100-53(17-12-30-94-81(89)90)67(115)99-54(26-27-62(82)112)70(118)97-51(15-10-28-92-79(85)86)68(116)101-55(66(84)114)33-44-18-22-48(110)23-19-44/h8-9,13-14,18-25,38-43,51-61,64-65,96,109-111H,10-12,15-17,26-37H2,1-7H3,(H2,82,112)(H2,83,113)(H2,84,114)(H,91,95)(H,97,118)(H,98,121)(H,99,115)(H,100,126)(H,101,116)(H,102,120)(H,103,123)(H,104,122)(H,105,117)(H,106,119)(H,107,124)(H,108,125)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/t43-,51+,52+,53+,54+,55+,56+,57+,58+,59?,60+,61+,64+,65+/m1/s1
PubChem CID44439571
ChEMBLCHEMBL411766
IUPHARN/A
BindingDB50197017
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
31605Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
31603Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
31604Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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