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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
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Ligand

Name	DB05045
Molecular formula	C185H288N54O55S2
IUPAC name	(4S)-4-[[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-4-carboxybutanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxyethylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxypropylidene]amino]-3-hydroxybutanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-5-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-5-carbamimidamido-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S,3S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S,3R)-1-[(2S)-5-carbamimidamido-1-[(2S)-1-[(2S)-5-carbamimidamido-1-hydroxy-1-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-iminopropan-2-yl]iminopentan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1,3-dihydroxybutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-4-methylsulfanylbutan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-1-hydroxypentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-4-methylsulfanylbutan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-5-hydroxypentanoic acid
Molecular weight	4212.78
Hydrogen bond acceptor	99
Hydrogen bond donor	66
XlogP	7.8
Synonyms	(34-L-glutamine)pancreatic hormone (human)
Inchi Key	LDUARVOCMXITCM-ILMFCTMOSA-N
Inchi ID	InChI=1S/C185H288N54O55S2/c1-20-91(10)144(176(289)230-125(83-137(191)250)166(279)218-116(64-74-296-19)161(274)224-121(77-89(6)7)169(282)234-145(97(16)240)177(290)220-110(32-24-68-204-185(199)200)154(267)215-112(54-59-134(188)247)157(270)213-108(30-22-66-202-183(195)196)155(268)222-118(147(192)260)78-99-37-45-103(242)46-38-99)233-170(283)123(80-101-41-49-105(244)50-42-101)227-156(269)109(31-23-67-203-184(197)198)212-153(266)107(29-21-65-201-182(193)194)214-164(277)119(75-87(2)3)225-168(281)127(85-142(258)259)223-150(263)94(13)206-148(261)93(12)208-162(275)122(79-100-39-47-104(243)48-40-100)226-160(273)111(53-58-133(187)246)211-149(262)95(14)207-152(265)115(63-73-295-18)217-158(271)113(55-60-135(189)248)216-159(272)114(56-61-139(252)253)219-172(285)131-35-28-72-239(131)181(294)146(98(17)241)235-151(264)96(15)209-163(276)124(82-136(190)249)228-167(280)126(84-141(256)257)210-138(251)86-205-171(284)129-33-25-70-237(129)180(293)128(81-102-43-51-106(245)52-44-102)231-175(288)143(90(8)9)232-174(287)132-36-27-71-238(132)179(292)117(57-62-140(254)255)221-165(278)120(76-88(4)5)229-173(286)130-34-26-69-236(130)178(291)92(11)186/h37-52,87-98,107-132,143-146,240-245H,20-36,53-86,186H2,1-19H3,(H2,187,246)(H2,188,247)(H2,189,248)(H2,190,249)(H2,191,250)(H2,192,260)(H,205,284)(H,206,261)(H,207,265)(H,208,275)(H,209,276)(H,210,251)(H,211,262)(H,212,266)(H,213,270)(H,214,277)(H,215,267)(H,216,272)(H,217,271)(H,218,279)(H,219,285)(H,220,290)(H,221,278)(H,222,268)(H,223,263)(H,224,274)(H,225,281)(H,226,273)(H,227,269)(H,228,280)(H,229,286)(H,230,289)(H,231,288)(H,232,287)(H,233,283)(H,234,282)(H,235,264)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H4,193,194,201)(H4,195,196,202)(H4,197,198,203)(H4,199,200,204)/t91-,92-,93-,94-,95-,96-,97+,98+,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,143-,144-,145-,146-/m0/s1
PubChem CID	131704295
ChEMBL	N/A
IUPHAR	N/A
BindingDB	N/A
DrugBank	DB05045
Structure SDF download
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. This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
550197	Neuropeptide Y receptor type 2	P49146	NPY2R	Homo sapiens (Human)	381
550198	Neuropeptide Y receptor type 4	P50391	NPY4R	Homo sapiens (Human)	375

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