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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	CHEMBL1791200
Molecular formula	C147H249N45O41S
IUPAC name	(3S)-3-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2R,5S,8S,17R)-17-[[(2R)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-5-[(2S)-butan-2-yl]-2-methyl-3,6,14,18-tetraoxo-1,4,7,13-tetrazacyclooctadecane-8-carbonyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Molecular weight	3334.94
Hydrogen bond acceptor	48
Hydrogen bond donor	49
XlogP	-12.0
Synonyms	N/A
Inchi Key	GTLKAFGSLNIXOT-UNYURZGOSA-N
Inchi ID	InChI=1S/C147H249N45O41S/c1-20-76(13)114-142(231)177-90(33-24-27-54-161-110(202)50-47-95(123(212)167-80(17)120(209)190-114)172-118(207)78(15)166-121(210)86(150)63-82-37-41-84(197)42-38-82)131(220)192-116(81(18)196)144(233)185-102(65-109(153)201)136(225)188-106(70-195)140(229)182-101(64-83-39-43-85(198)44-40-83)135(224)175-92(36-30-57-164-147(159)160)125(214)174-89(32-23-26-53-149)130(219)189-113(75(11)12)141(230)184-97(59-71(3)4)122(211)165-67-111(203)169-93(45-48-107(151)199)127(216)180-100(62-74(9)10)134(223)187-104(68-193)138(227)168-79(16)119(208)171-91(35-29-56-163-146(157)158)124(213)173-88(31-22-25-52-148)126(215)179-99(61-73(7)8)133(222)181-98(60-72(5)6)132(221)176-94(46-49-108(152)200)128(217)183-103(66-112(204)205)137(226)191-115(77(14)21-2)143(232)178-96(51-58-234-19)129(218)186-105(69-194)139(228)170-87(117(154)206)34-28-55-162-145(155)156/h37-44,71-81,86-106,113-116,193-198H,20-36,45-70,148-150H2,1-19H3,(H2,151,199)(H2,152,200)(H2,153,201)(H2,154,206)(H,161,202)(H,165,211)(H,166,210)(H,167,212)(H,168,227)(H,169,203)(H,170,228)(H,171,208)(H,172,207)(H,173,213)(H,174,214)(H,175,224)(H,176,221)(H,177,231)(H,178,232)(H,179,215)(H,180,216)(H,181,222)(H,182,229)(H,183,217)(H,184,230)(H,185,233)(H,186,218)(H,187,223)(H,188,225)(H,189,219)(H,190,209)(H,191,226)(H,192,220)(H,204,205)(H4,155,156,162)(H4,157,158,163)(H4,159,160,164)/t76-,77-,78+,79-,80+,81+,86+,87-,88-,89-,90-,91-,92-,93-,94-,95+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,113-,114-,115-,116-/m0/s1
PubChem CID	56681688
ChEMBL	CHEMBL1791200
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
104955	Growth hormone-releasing hormone receptor	Q02644	Ghrhr	Rattus norvegicus (Rat)	464

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