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Ligand

NamePYY, zebrafish
Molecular formulaC194H292N52O57
IUPAC name(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]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-4-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-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid
Molecular weight4264.78
Hydrogen bond acceptor64
Hydrogen bond donor56
XlogP-15.5
SynonymsN/A
Inchi KeyLKVFLNHIISTRHC-BSVRDBRCSA-N
Inchi IDInChI=1S/C194H292N52O57/c1-17-98(9)153(182(293)235-134(88-145(199)255)173(284)229-129(81-97(7)8)175(286)239-154(99(10)18-2)183(294)241-156(105(16)248)185(296)225-121(35-25-73-210-194(205)206)160(271)221-122(61-65-144(198)254)164(275)219-120(34-24-72-209-193(203)204)163(274)237-138(191(302)303)86-110-49-59-116(253)60-50-110)238-176(287)131(84-108-45-55-114(251)56-46-108)232-172(283)133(87-111-92-207-94-212-111)233-162(273)119(33-23-71-208-192(201)202)220-170(281)128(80-96(5)6)227-159(270)102(13)215-184(295)155(104(15)247)240-177(288)132(85-109-47-57-115(252)58-48-109)231-171(282)130(83-107-43-53-113(250)54-44-107)230-161(272)118(31-19-21-69-195)218-158(269)101(12)214-168(279)127(79-95(3)4)228-166(277)123(62-66-148(258)259)222-165(276)124(63-67-149(260)261)223-179(290)140-37-27-74-242(140)186(297)103(14)216-157(268)100(11)213-169(280)136(91-152(266)267)234-174(285)135(90-151(264)265)217-147(257)93-211-178(289)139-36-26-75-243(139)189(300)137(89-146(200)256)236-167(278)125(64-68-150(262)263)224-180(291)141-38-28-76-244(141)188(299)126(32-20-22-70-196)226-181(292)142-39-29-77-245(142)190(301)143-40-30-78-246(143)187(298)117(197)82-106-41-51-112(249)52-42-106/h41-60,92,94-105,117-143,153-156,247-253H,17-40,61-91,93,195-197H2,1-16H3,(H2,198,254)(H2,199,255)(H2,200,256)(H,207,212)(H,211,289)(H,213,280)(H,214,279)(H,215,295)(H,216,268)(H,217,257)(H,218,269)(H,219,275)(H,220,281)(H,221,271)(H,222,276)(H,223,290)(H,224,291)(H,225,296)(H,226,292)(H,227,270)(H,228,277)(H,229,284)(H,230,272)(H,231,282)(H,232,283)(H,233,273)(H,234,285)(H,235,293)(H,236,278)(H,237,274)(H,238,287)(H,239,286)(H,240,288)(H,241,294)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,302,303)(H4,201,202,208)(H4,203,204,209)(H4,205,206,210)/t98?,99?,100-,101-,102-,103-,104?,105+,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,153-,154-,155-,156-/m0/s1
PubChem CID57340161
ChEMBLN/A
IUPHARN/A
BindingDB85536
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
189925Neuropeptide Y receptor type 1Q9WVD0NPY1RCavia porcellus (Guinea pig)383
189926Neuropeptide Y receptor type 1P21555Npy1rRattus norvegicus (Rat)382

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