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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 44298170
Molecular formula	C149H244N46O39S
IUPAC name	(4S)-4-[[(2S)-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,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Molecular weight	3335.93
Hydrogen bond acceptor	47
Hydrogen bond donor	48
XlogP	-11.3
Synonyms	N/A
Inchi Key	LQUDUGGQXIUMPU-TUSZIHRSSA-N
Inchi ID	InChI=1S/C149H244N46O39S/c1-20-77(12)115(192-122(211)82(17)171-132(221)107(67-114(206)207)180-120(209)80(15)151)143(232)189-104(62-84-32-24-23-25-33-84)139(228)195-118(83(18)198)145(234)191-109(71-197)141(230)190-108(70-196)140(229)185-103(64-86-41-45-89(200)46-42-86)136(225)177-93(37-30-55-166-148(159)160)125(214)176-94(38-31-56-167-149(161)162)129(218)193-117(79(14)22-3)144(233)188-98(58-73(4)5)123(212)168-69-112(203)172-95(47-49-110(152)201)127(216)182-100(60-75(8)9)134(223)184-102(63-85-39-43-88(199)44-40-85)131(220)170-81(16)121(210)174-92(36-29-54-165-147(157)158)124(213)175-91(34-26-27-52-150)126(215)181-99(59-74(6)7)133(222)183-101(61-76(10)11)135(224)186-105(65-87-68-163-72-169-87)137(226)178-96(48-50-113(204)205)130(219)194-116(78(13)21-2)142(231)179-97(51-57-235-19)128(217)187-106(66-111(153)202)138(227)173-90(119(154)208)35-28-53-164-146(155)156/h23-25,32-33,39-46,68,72-83,90-109,115-118,196-200H,20-22,26-31,34-38,47-67,69-71,150-151H2,1-19H3,(H2,152,201)(H2,153,202)(H2,154,208)(H,163,169)(H,168,212)(H,170,220)(H,171,221)(H,172,203)(H,173,227)(H,174,210)(H,175,213)(H,176,214)(H,177,225)(H,178,226)(H,179,231)(H,180,209)(H,181,215)(H,182,216)(H,183,222)(H,184,223)(H,185,229)(H,186,224)(H,187,217)(H,188,233)(H,189,232)(H,190,230)(H,191,234)(H,192,211)(H,193,218)(H,194,219)(H,195,228)(H,204,205)(H,206,207)(H4,155,156,164)(H4,157,158,165)(H4,159,160,166)(H4,161,162,167)/t77-,78-,79-,80-,81-,82-,83+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,115-,116-,117-,118-/m0/s1
PubChem CID	44298170
ChEMBL	CHEMBL427665
IUPHAR	N/A
BindingDB	50004972
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
194174	Growth hormone-releasing hormone receptor	Q02644	Ghrhr	Rattus norvegicus (Rat)	464

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