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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 77077841
Molecular formula	C153H224N44O47S
IUPAC name	(3R)-4-[[(2R)-1-[[(2R)-1-[[(2R)-5-amino-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-4-amino-1-[[(2R,3S)-1-amino-3-hydroxy-1-oxobutan-2-yl]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]-3-[[(2R)-5-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S,5R,8R,16S)-16-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R,3S)-2-[[(2R)-2-[[(2R,3S)-2-[[2-[[(2R)-5-amino-2-[[(2R)-2-[[(2R)-2-amino-3-(1H-imidazol-5-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]-2-[(4-hydroxyphenyl)methyl]-5-(2-methylpropyl)-3,6,10,17-tetraoxo-1,4,7,11-tetrazacycloheptadecane-8-carbonyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid
Molecular weight	3463.8
Hydrogen bond acceptor	52
Hydrogen bond donor	52
XlogP	-15.1
Synonyms	N/A
Inchi Key	KWFWOSHABYCTAM-XJOPBACLSA-N
Inchi ID	InChI=1S/C153H224N44O47S/c1-72(2)52-97(134(227)177-96(47-51-245-11)133(226)185-104(60-115(158)210)144(237)196-121(76(8)202)124(159)217)180-138(231)103(58-83-64-168-89-29-19-18-28-87(83)89)184-132(225)95(43-46-114(157)209)178-149(242)120(74(5)6)195-142(235)101(54-79-24-14-12-15-25-79)183-140(233)106(62-118(213)214)187-131(224)94(42-45-113(156)208)172-125(218)75(7)171-128(221)91(31-22-49-166-152(160)161)173-129(222)92(32-23-50-167-153(162)163)175-147(240)110(69-200)192-139(232)105-61-116(211)165-48-21-20-30-90(130(223)181-99(56-81-33-37-85(205)38-34-81)136(229)179-98(53-73(3)4)135(228)186-105)174-146(239)109(68-199)191-137(230)100(57-82-35-39-86(206)40-36-82)182-141(234)107(63-119(215)216)188-148(241)111(70-201)193-151(244)123(78(10)204)197-143(236)102(55-80-26-16-13-17-27-80)189-150(243)122(77(9)203)194-117(212)66-169-127(220)93(41-44-112(155)207)176-145(238)108(67-198)190-126(219)88(154)59-84-65-164-71-170-84/h12-19,24-29,33-40,64-65,71-78,88,90-111,120-123,168,198-206H,20-23,30-32,41-63,66-70,154H2,1-11H3,(H2,155,207)(H2,156,208)(H2,157,209)(H2,158,210)(H2,159,217)(H,164,170)(H,165,211)(H,169,220)(H,171,221)(H,172,218)(H,173,222)(H,174,239)(H,175,240)(H,176,238)(H,177,227)(H,178,242)(H,179,229)(H,180,231)(H,181,223)(H,182,234)(H,183,233)(H,184,225)(H,185,226)(H,186,228)(H,187,224)(H,188,241)(H,189,243)(H,190,219)(H,191,230)(H,192,232)(H,193,244)(H,194,212)(H,195,235)(H,196,237)(H,197,236)(H,213,214)(H,215,216)(H4,160,161,166)(H4,162,163,167)/t75-,76+,77+,78+,88-,90+,91-,92-,93-,94-,95-,96-,97-,98-,99+,100-,101-,102-,103-,104-,105-,106-,107-,108-,109+,110+,111-,120-,121-,122-,123-/m1/s1
PubChem CID	77077841
ChEMBL	CHEMBL268534
IUPHAR	N/A
BindingDB	50087849
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
179765	Glucagon receptor	P30082	Gcgr	Rattus norvegicus (Rat)	485

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