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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	CHEMBL1221881
Molecular formula	C151H246N50O32S2
IUPAC name	(3S)-3-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Molecular weight	3338.07
Hydrogen bond acceptor	43
Hydrogen bond donor	52
XlogP	-5.9
Synonyms	N/A
Inchi Key	HWPYUPWTOCBEEU-NXVHGZMRSA-N
Inchi ID	InChI=1S/C151H246N50O32S2/c1-18-84(14)120(200-138(225)108(66-87-70-173-93-40-24-22-37-90(87)93)195-143(230)118(82(10)11)198-137(224)106(64-81(8)9)189-122(209)92(153)39-28-52-167-146(154)155)144(231)199-119(83(12)13)142(229)187-100(47-33-57-172-151(164)165)131(218)197-113(76-203)140(227)183-98(45-31-55-170-149(160)161)129(216)193-109(68-89-72-166-77-177-89)135(222)192-107(65-86-35-20-19-21-36-86)124(211)176-74-116(205)201-58-34-48-114(201)141(228)186-99(46-32-56-171-150(162)163)130(217)191-105(63-80(6)7)133(220)181-97(44-30-54-169-148(158)159)128(215)184-101(49-59-234-16)125(212)178-85(15)121(208)188-104(62-79(4)5)134(221)190-103(61-78(2)3)123(210)175-73-115(204)179-112(75-202)139(226)194-110(69-117(206)207)136(223)182-96(43-29-53-168-147(156)157)127(214)180-95(42-26-27-51-152)126(213)185-102(50-60-235-17)132(219)196-111(145(232)233)67-88-71-174-94-41-25-23-38-91(88)94/h19-25,35-38,40-41,70-72,77-85,92,95-114,118-120,173-174,202-203H,18,26-34,39,42-69,73-76,152-153H2,1-17H3,(H,166,177)(H,175,210)(H,176,211)(H,178,212)(H,179,204)(H,180,214)(H,181,220)(H,182,223)(H,183,227)(H,184,215)(H,185,213)(H,186,228)(H,187,229)(H,188,208)(H,189,209)(H,190,221)(H,191,217)(H,192,222)(H,193,216)(H,194,226)(H,195,230)(H,196,219)(H,197,218)(H,198,224)(H,199,231)(H,200,225)(H,206,207)(H,232,233)(H4,154,155,167)(H4,156,157,168)(H4,158,159,169)(H4,160,161,170)(H4,162,163,171)(H4,164,165,172)/t84-,85-,92-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,118-,119-,120-/m0/s1
PubChem CID	49864470
ChEMBL	CHEMBL1221881
IUPHAR	N/A
BindingDB	N/A
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
539138	G-protein coupled receptor Mth	O97148	mth	Drosophila melanogaster (Fruit fly)	514

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