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Name | D0D3CG |
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Molecular formula | C138H199N35O30 |
IUPAC name | (2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2R)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-5-amino-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide |
Molecular weight | 2828.32 |
Hydrogen bond acceptor | 33 |
Hydrogen bond donor | 35 |
XlogP | 0.5 |
Synonyms | NCGC00167329-01 L-Leucinamide,glycyl-L-tryptophyl-L-threonyl-L-Leucyl-L-asparaginyl-L-seryl-L-alanylglycyl-L-tyrosyl-L-leucyl-l-leucylglycyl-l-prolyl-D-arginyl-L-prolyl-L-Lysyl-L-prolyl-L-glutaminyl-l-glutaminyl-D-tr |
Inchi Key | LTAFNTKZCARRFJ-HPWFANMZSA-N |
Inchi ID | InChI=1S/C138H199N35O30/c1-72(2)54-95(117(144)183)160-122(188)97(56-74(5)6)163-127(193)104(63-83-68-150-90-35-21-18-32-87(83)90)166-126(192)101(59-79-28-14-13-15-29-79)164-128(194)103(62-82-67-149-89-34-20-17-31-86(82)89)165-121(187)91(45-47-110(141)177)156-120(186)92(46-48-111(142)178)157-133(199)108-39-26-52-172(108)136(202)93(36-22-23-49-139)158-134(200)109-40-27-53-173(109)137(203)94(37-24-50-147-138(145)146)159-132(198)107-38-25-51-171(107)115(182)70-152-119(185)96(55-73(3)4)161-123(189)98(57-75(7)8)162-125(191)100(60-80-41-43-84(176)44-42-80)155-114(181)69-151-118(184)77(11)153-131(197)106(71-174)169-129(195)105(64-112(143)179)167-124(190)99(58-76(9)10)168-135(201)116(78(12)175)170-130(196)102(154-113(180)65-140)61-81-66-148-88-33-19-16-30-85(81)88/h13-21,28-35,41-44,66-68,72-78,91-109,116,148-150,174-176H,22-27,36-40,45-65,69-71,139-140H2,1-12H3,(H2,141,177)(H2,142,178)(H2,143,179)(H2,144,183)(H,151,184)(H,152,185)(H,153,197)(H,154,180)(H,155,181)(H,156,186)(H,157,199)(H,158,200)(H,159,198)(H,160,188)(H,161,189)(H,162,191)(H,163,193)(H,164,194)(H,165,187)(H,166,192)(H,167,190)(H,168,201)(H,169,195)(H,170,196)(H4,145,146,147)/t77-,78+,91-,92-,93-,94+,95-,96-,97-,98-,99-,100-,101-,102-,103+,104+,105-,106-,107-,108-,109-,116-/m0/s1 |
PubChem CID | 16201463 |
ChEMBL | CHEMBL604373 |
IUPHAR | N/A |
BindingDB | 50307256 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
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195741 | Galanin receptor type 1 | P47211 | GALR1 | Homo sapiens (Human) | 349 |
195738 | Galanin receptor type 2 | O43603 | GALR2 | Homo sapiens (Human) | 387 |
195740 | Galanin receptor type 2 | O08726 | Galr2 | Rattus norvegicus (Rat) | 372 |
195739 | Galanin receptor type 3 | O88626 | Galr3 | Rattus norvegicus (Rat) | 370 |
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