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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	CHEMBL429708
Molecular formula	C148H241N45O43S
IUPAC name	(3S)-4-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(3R,6S,9S,18R)-18-[[(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]carbamoyl]-6-(3-amino-3-oxopropyl)-3-(carboxymethyl)-2,5,8,12-tetraoxo-1,4,7,13-tetrazacyclooctadec-9-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]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-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-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
Molecular weight	3370.89
Hydrogen bond acceptor	50
Hydrogen bond donor	50
XlogP	-16.2
Synonyms	N/A
Inchi Key	KYPLLWSJRQCTBQ-MEDSGTOESA-N
Inchi ID	InChI=1S/C148H241N45O43S/c1-16-76(10)116(192-121(212)79(13)168-133(224)103(66-113(205)206)180-120(211)77(11)167-122(213)86(151)62-82-37-41-84(198)42-38-82)144(235)186-101(63-81-29-18-17-19-30-81)139(230)193-117(80(14)197)145(236)187-102(65-110(154)202)137(228)190-107(71-196)142(233)183-100(64-83-39-43-85(199)44-40-83)136(227)176-92(36-28-57-165-148(160)161)126(217)174-90(32-21-24-53-150)132(223)191-115(75(8)9)143(234)185-97(59-72(2)3)123(214)166-68-112(204)170-93(45-48-108(152)200)128(219)182-99(61-74(6)7)135(226)189-105(69-194)140(231)169-78(12)119(210)172-91(35-27-56-164-147(158)159)125(216)173-88(31-20-23-52-149)127(218)181-98(60-73(4)5)134(225)178-95-47-50-111(203)162-54-25-22-33-89(175-138(229)104(67-114(207)208)184-130(221)94(177-129(95)220)46-49-109(153)201)124(215)179-96(51-58-237-15)131(222)188-106(70-195)141(232)171-87(118(155)209)34-26-55-163-146(156)157/h17-19,29-30,37-44,72-80,86-107,115-117,194-199H,16,20-28,31-36,45-71,149-151H2,1-15H3,(H2,152,200)(H2,153,201)(H2,154,202)(H2,155,209)(H,162,203)(H,166,214)(H,167,213)(H,168,224)(H,169,231)(H,170,204)(H,171,232)(H,172,210)(H,173,216)(H,174,217)(H,175,229)(H,176,227)(H,177,220)(H,178,225)(H,179,215)(H,180,211)(H,181,218)(H,182,219)(H,183,233)(H,184,221)(H,185,234)(H,186,235)(H,187,236)(H,188,222)(H,189,226)(H,190,228)(H,191,223)(H,192,212)(H,193,230)(H,205,206)(H,207,208)(H4,156,157,163)(H4,158,159,164)(H4,160,161,165)/t76-,77-,78-,79-,80+,86-,87+,88-,89+,90-,91-,92-,93-,94-,95-,96+,97-,98-,99-,100-,101-,102-,103-,104+,105-,106+,107-,115-,116-,117-/m0/s1
PubChem CID	44376400
ChEMBL	CHEMBL429708
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
181326	Growth hormone-releasing hormone receptor	Q02644	Ghrhr	Rattus norvegicus (Rat)	464

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