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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.
Go back to previous page.

Ligand

Name	CID 44335807
Molecular formula	C150H217N43O49S3
IUPAC name	(3S)-3-[[(2S)-5-amino-2-[[(4R,7S,10S,13S,16S,19R)-19-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-16-(carboxymethyl)-7,10-bis[3-(diaminomethylideneamino)propyl]-13-(hydroxymethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-5-oxopentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1,4-dioxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Molecular weight	3502.82
Hydrogen bond acceptor	57
Hydrogen bond donor	53
XlogP	-18.7
Synonyms	N/A
Inchi Key	VBJIOVOOUYYUNI-DITHBEATSA-N
Inchi ID	InChI=1S/C150H217N43O49S3/c1-70(2)49-93(129(222)172-92(44-48-243-8)128(221)179-99(56-112(156)206)138(231)193-120(74(7)200)148(241)242)174-132(225)98(54-79-60-164-85-26-16-15-25-83(79)85)178-127(220)91(40-43-111(155)205)173-145(238)117(71(3)4)191-136(229)96(50-75-21-11-9-12-22-75)177-133(226)100(57-114(208)209)180-126(219)90(39-42-110(154)204)171-143(236)107-67-244-245-68-108(144(237)182-102(59-116(212)213)135(228)186-105(65-196)141(234)169-87(28-19-46-162-149(157)158)123(216)167-88(125(218)188-107)29-20-47-163-150(159)160)189-131(224)95(53-78-32-36-82(202)37-33-78)175-124(217)86(27-17-18-45-151)168-140(233)104(64-195)185-130(223)94(52-77-30-34-81(201)35-31-77)176-134(227)101(58-115(210)211)181-142(235)106(66-197)187-147(240)119(73(6)199)192-137(230)97(51-76-23-13-10-14-24-76)183-146(239)118(72(5)198)190-113(207)62-165-122(215)89(38-41-109(153)203)170-139(232)103(63-194)184-121(214)84(152)55-80-61-161-69-166-80/h9-16,21-26,30-37,60-61,69-74,84,86-108,117-120,164,194-202H,17-20,27-29,38-59,62-68,151-152H2,1-8H3,(H2,153,203)(H2,154,204)(H2,155,205)(H2,156,206)(H,161,166)(H,165,215)(H,167,216)(H,168,233)(H,169,234)(H,170,232)(H,171,236)(H,172,222)(H,173,238)(H,174,225)(H,175,217)(H,176,227)(H,177,226)(H,178,220)(H,179,221)(H,180,219)(H,181,235)(H,182,237)(H,183,239)(H,184,214)(H,185,223)(H,186,228)(H,187,240)(H,188,218)(H,189,224)(H,190,207)(H,191,229)(H,192,230)(H,193,231)(H,208,209)(H,210,211)(H,212,213)(H,241,242)(H4,157,158,162)(H4,159,160,163)/t72-,73-,74-,84+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,117+,118+,119+,120+/m1/s1
PubChem CID	44335807
ChEMBL	CHEMBL410553
IUPHAR	N/A
BindingDB	50104038
DrugBank	N/A
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.

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
350839	Glucagon receptor	P30082	Gcgr	Rattus norvegicus (Rat)	485

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