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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	CHEMBL1791249
Molecular formula	C146H245N45O42S
IUPAC name	(3R)-4-[[(2R)-1-[[(2R,3R)-1-[[(2R)-1-[[(2R,3S)-1-[[(2R)-4-amino-1-[[(2R)-1-[[(3R,6S,9S,18R)-18-[[(2S)-1-[[2-[[(2R)-5-amino-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-6-amino-1-[[(2R)-1-[[(2R)-1-[[(2R)-5-amino-1-[[(2R)-1-[[(2R,3R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-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]-3-carboxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-3-(4-aminobutyl)-6-[3-(diaminomethylideneamino)propyl]-2,5,8,12-tetraoxo-1,4,7,13-tetrazacyclooctadec-9-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2R)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
Molecular weight	3334.9
Hydrogen bond acceptor	49
Hydrogen bond donor	49
XlogP	-15.2
Synonyms	N/A
Inchi Key	MECBIWIMAURUQP-XNNVTVSASA-N
Inchi ID	InChI=1S/C146H245N45O42S/c1-18-75(11)113(189-119(209)79(15)166-131(221)101(65-111(202)203)178-118(208)77(13)165-120(210)84(149)62-82-40-42-83(196)43-41-82)142(232)184-99(63-81-32-21-20-22-33-81)136(226)191-115(80(16)195)143(233)185-100(64-108(152)199)135(225)188-105(70-194)140(230)176-93-46-49-109(200)160-53-28-25-36-88(173-122(212)86(34-23-26-51-147)171-124(214)90(174-128(93)218)39-31-56-163-146(158)159)125(215)179-95(58-71(3)4)121(211)164-67-110(201)168-91(44-47-106(150)197)127(217)181-98(61-74(9)10)134(224)187-103(68-192)138(228)167-78(14)117(207)170-89(38-30-55-162-145(156)157)123(213)172-87(35-24-27-52-148)126(216)180-97(60-73(7)8)133(223)182-96(59-72(5)6)132(222)175-92(45-48-107(151)198)129(219)183-102(66-112(204)205)137(227)190-114(76(12)19-2)141(231)177-94(50-57-234-17)130(220)186-104(69-193)139(229)169-85(116(153)206)37-29-54-161-144(154)155/h20-22,32-33,40-43,71-80,84-105,113-115,192-196H,18-19,23-31,34-39,44-70,147-149H2,1-17H3,(H2,150,197)(H2,151,198)(H2,152,199)(H2,153,206)(H,160,200)(H,164,211)(H,165,210)(H,166,221)(H,167,228)(H,168,201)(H,169,229)(H,170,207)(H,171,214)(H,172,213)(H,173,212)(H,174,218)(H,175,222)(H,176,230)(H,177,231)(H,178,208)(H,179,215)(H,180,216)(H,181,217)(H,182,223)(H,183,219)(H,184,232)(H,185,233)(H,186,220)(H,187,224)(H,188,225)(H,189,209)(H,190,227)(H,191,226)(H,202,203)(H,204,205)(H4,154,155,161)(H4,156,157,162)(H4,158,159,163)/t75-,76-,77-,78-,79-,80+,84-,85-,86-,87-,88-,89-,90+,91-,92-,93+,94-,95+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,113-,114-,115-/m1/s1
PubChem CID	56678307
ChEMBL	CHEMBL1791249
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
203256	Growth hormone-releasing hormone receptor	Q02644	Ghrhr	Rattus norvegicus (Rat)	464

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