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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	CHEMBL439889
Molecular formula	C152H248N44O43S
IUPAC name	(3S)-4-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(3R,6S,9S,18R)-18-[[(2R)-5-amino-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(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]-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]carbamoyl]-3-(2-methylpropyl)-2,5,8,12-tetraoxo-6-propan-2-yl-1,4,7,13-tetrazacyclooctadec-9-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	3411.98
Hydrogen bond acceptor	49
Hydrogen bond donor	49
XlogP	-12.9
Synonyms	N/A
Inchi Key	JYWQTMNCJAZMOC-LCRLBLPLSA-N
Inchi ID	InChI=1S/C152H248N44O43S/c1-20-78(13)118(194-124(214)82(17)170-134(224)106(68-115(207)208)181-123(213)80(15)169-125(215)89(154)64-85-39-43-87(201)44-40-85)148(238)188-104(65-84-32-23-22-24-33-84)141(231)196-120(83(18)200)149(239)189-105(67-113(157)205)140(230)192-110(72-199)145(235)185-103(66-86-41-45-88(202)46-42-86)139(229)176-94(38-31-58-168-152(163)164)128(218)178-97-49-52-114(206)165-55-28-26-35-92(175-136(226)102(63-76(9)10)187-146(236)117(77(11)12)193-133(97)223)126(216)177-95(47-50-111(155)203)130(220)183-101(62-75(7)8)138(228)191-108(70-197)143(233)171-81(16)122(212)173-93(37-30-57-167-151(161)162)127(217)174-91(34-25-27-54-153)129(219)182-100(61-74(5)6)137(227)184-99(60-73(3)4)135(225)179-96(48-51-112(156)204)131(221)186-107(69-116(209)210)142(232)195-119(79(14)21-2)147(237)180-98(53-59-240-19)132(222)190-109(71-198)144(234)172-90(121(158)211)36-29-56-166-150(159)160/h22-24,32-33,39-46,73-83,89-110,117-120,197-202H,20-21,25-31,34-38,47-72,153-154H2,1-19H3,(H2,155,203)(H2,156,204)(H2,157,205)(H2,158,211)(H,165,206)(H,169,215)(H,170,224)(H,171,233)(H,172,234)(H,173,212)(H,174,217)(H,175,226)(H,176,229)(H,177,216)(H,178,218)(H,179,225)(H,180,237)(H,181,213)(H,182,219)(H,183,220)(H,184,227)(H,185,235)(H,186,221)(H,187,236)(H,188,238)(H,189,239)(H,190,222)(H,191,228)(H,192,230)(H,193,223)(H,194,214)(H,195,232)(H,196,231)(H,207,208)(H,209,210)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t78-,79-,80-,81+,82-,83+,89-,90-,91-,92+,93-,94-,95+,96-,97-,98-,99-,100-,101+,102+,103-,104-,105-,106-,107-,108+,109-,110-,117-,118-,119-,120-/m0/s1
PubChem CID	44376156
ChEMBL	CHEMBL439889
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
163422	Growth hormone-releasing hormone receptor	Q02644	Ghrhr	Rattus norvegicus (Rat)	464

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