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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 44336094
Molecular formula	C153H225N43O47S3
IUPAC name	(3S)-3-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(4R,7S,10S,13S,16S,19R)-19-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-13-benzyl-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]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	3514.92
Hydrogen bond acceptor	55
Hydrogen bond donor	52
XlogP	-15.0
Synonyms	N/A
Inchi Key	VWSLHCREHGBIEZ-ABTCHCNCSA-N
Inchi ID	InChI=1S/C153H225N43O47S3/c1-72(2)52-97(132(223)175-96(47-51-244-11)131(222)183-104(60-116(159)209)141(232)196-122(78(10)203)151(242)243)178-136(227)103(58-83-63-167-89-29-19-18-28-87(83)89)182-129(220)95(43-46-115(158)208)176-148(239)119(74(5)6)193-139(230)101(54-79-24-14-12-15-25-79)180-137(228)105(61-117(210)211)184-128(219)93(41-44-113(156)206)170-123(214)75(7)169-125(216)91(31-22-49-165-152(160)161)171-126(217)92(32-23-50-166-153(162)163)173-144(235)109(67-199)189-138(229)106(62-118(212)213)185-133(224)98(53-73(3)4)177-134(225)99(56-81-33-37-85(204)38-34-81)179-127(218)90(30-20-21-48-154)172-143(234)108(66-198)188-135(226)100(57-82-35-39-86(205)40-36-82)181-146(237)111-69-245-246-70-112(191-130(221)94(42-45-114(157)207)174-142(233)107(65-197)187-124(215)88(155)59-84-64-164-71-168-84)147(238)195-120(76(8)201)149(240)186-102(55-80-26-16-13-17-27-80)140(231)194-121(77(9)202)150(241)190-110(68-200)145(236)192-111/h12-19,24-29,33-40,63-64,71-78,88,90-112,119-122,167,197-205H,20-23,30-32,41-62,65-70,154-155H2,1-11H3,(H2,156,206)(H2,157,207)(H2,158,208)(H2,159,209)(H,164,168)(H,169,216)(H,170,214)(H,171,217)(H,172,234)(H,173,235)(H,174,233)(H,175,223)(H,176,239)(H,177,225)(H,178,227)(H,179,218)(H,180,228)(H,181,237)(H,182,220)(H,183,222)(H,184,219)(H,185,224)(H,186,240)(H,187,215)(H,188,226)(H,189,229)(H,190,241)(H,191,221)(H,192,236)(H,193,230)(H,194,231)(H,195,238)(H,196,232)(H,210,211)(H,212,213)(H,242,243)(H4,160,161,165)(H4,162,163,166)/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-,112-,119-,120-,121-,122-/m0/s1
PubChem CID	44336094
ChEMBL	CHEMBL414490
IUPHAR	N/A
BindingDB	50104036
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
366162	Glucagon receptor	P30082	Gcgr	Rattus norvegicus (Rat)	485

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