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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 44319559
Molecular formula	C143H214N42O47S
IUPAC name	(3R)-3-[[(2R)-5-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R,3S)-2-[[(2R,3S)-2-[[2-[[(2R)-5-amino-2-[[(2R)-2-[[(2R)-2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]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]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-4-[[(2R)-1-[[(2R)-1-[[(2R)-5-amino-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-4-amino-1-[[(2R,3S)-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-4-sulfanylbutan-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	3305.59
Hydrogen bond acceptor	53
Hydrogen bond donor	52
XlogP	-19.5
Synonyms	N/A
Inchi Key	BUTKKOZVNAJNLB-AGEBCJOZSA-N
Inchi ID	InChI=1S/C143H214N42O47S/c1-66(2)46-90(125(216)166-89(41-45-233)124(215)174-96(53-108(149)199)130(221)178-100(60-186)70(8)191)169-129(220)95(51-76-57-157-82-23-15-14-22-80(76)82)173-123(214)88(37-40-107(148)198)167-139(230)113(68(5)6)184-134(225)94(48-73-20-12-11-13-21-73)172-131(222)97(54-110(201)202)175-122(213)87(36-39-106(147)197)161-116(207)69(7)160-119(210)84(25-18-43-155-142(150)151)162-120(211)85(26-19-44-156-143(152)153)164-137(228)103(63-189)181-133(224)99(56-112(205)206)176-126(217)91(47-67(3)4)168-127(218)92(49-74-27-31-78(194)32-28-74)170-121(212)83(24-16-17-42-144)163-136(227)102(62-188)180-128(219)93(50-75-29-33-79(195)34-30-75)171-132(223)98(55-111(203)204)177-138(229)104(64-190)182-140(231)115(72(10)193)185-141(232)114(71(9)192)183-109(200)59-158-118(209)86(35-38-105(146)196)165-135(226)101(61-187)179-117(208)81(145)52-77-58-154-65-159-77/h11-15,20-23,27-34,57-58,60,65-72,81,83-104,113-115,157,187-195,233H,16-19,24-26,35-56,59,61-64,144-145H2,1-10H3,(H2,146,196)(H2,147,197)(H2,148,198)(H2,149,199)(H,154,159)(H,158,209)(H,160,210)(H,161,207)(H,162,211)(H,163,227)(H,164,228)(H,165,226)(H,166,216)(H,167,230)(H,168,218)(H,169,220)(H,170,212)(H,171,223)(H,172,222)(H,173,214)(H,174,215)(H,175,213)(H,176,217)(H,177,229)(H,178,221)(H,179,208)(H,180,219)(H,181,224)(H,182,231)(H,183,200)(H,184,225)(H,185,232)(H,201,202)(H,203,204)(H,205,206)(H4,150,151,155)(H4,152,153,156)/t69-,70+,71+,72+,81-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100+,101-,102-,103-,104-,113-,114-,115-/m1/s1
PubChem CID	44319559
ChEMBL	CHEMBL409611
IUPHAR	N/A
BindingDB	50059355
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
33360	Glucagon receptor	P30082	Gcgr	Rattus norvegicus (Rat)	485

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