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Ligand

NamePYY13-36, rat
Molecular formulaC134H207N41O36S
IUPAC name(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-(diaminomethylideneamino)-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]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxo-4-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoic acid
Molecular weight3000.44
Hydrogen bond acceptor43
Hydrogen bond donor44
XlogP-8.7
SynonymsBDBM84995
NPY 13-36, human, rat
Inchi KeyWPVRWBQWAYQJSX-YGPTWXQHSA-N
Inchi IDInChI=1S/C134H207N41O36S/c1-14-67(7)104(128(209)171-97(60-101(136)183)123(204)165-92(54-66(5)6)125(206)174-105(68(8)15-2)129(210)175-106(72(12)177)130(211)162-86(25-20-51-151-134(144)145)113(194)160-87(42-44-100(135)182)117(198)158-84(23-18-49-149-132(140)141)114(195)163-90(107(137)188)55-73-26-34-78(178)35-27-73)173-126(207)95(58-76-32-40-81(181)41-33-76)168-122(203)96(59-77-62-146-64-152-77)169-116(197)85(24-19-50-150-133(142)143)159-119(200)91(53-65(3)4)164-110(191)71(11)155-127(208)99(63-176)172-121(202)94(57-75-30-38-80(180)39-31-75)167-120(201)93(56-74-28-36-79(179)37-29-74)166-115(196)83(22-17-48-148-131(138)139)156-108(189)70(10)154-112(193)89(46-52-212-13)161-124(205)98(61-103(186)187)170-118(199)88(43-45-102(184)185)157-109(190)69(9)153-111(192)82-21-16-47-147-82/h26-41,62,64-72,82-99,104-106,147,176-181H,14-25,42-61,63H2,1-13H3,(H2,135,182)(H2,136,183)(H2,137,188)(H,146,152)(H,153,192)(H,154,193)(H,155,208)(H,156,189)(H,157,190)(H,158,198)(H,159,200)(H,160,194)(H,161,205)(H,162,211)(H,163,195)(H,164,191)(H,165,204)(H,166,196)(H,167,201)(H,168,203)(H,169,197)(H,170,199)(H,171,209)(H,172,202)(H,173,207)(H,174,206)(H,175,210)(H,184,185)(H,186,187)(H4,138,139,148)(H4,140,141,149)(H4,142,143,150)(H4,144,145,151)/t67-,68-,69-,70-,71-,72+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,104-,105-,106-/m0/s1
PubChem CID91898910
ChEMBLN/A
IUPHARN/A
BindingDB84995
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
557062Neuropeptide Y receptor type 5Q63634Npy5rRattus norvegicus (Rat)445
557063Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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