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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	BDBM50004983
Molecular formula	C143H236N40O38S
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-[[10-[[(2S)-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-carbamimidamido-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-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2,10-dioxodecyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-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	3155.76
Hydrogen bond acceptor	45
Hydrogen bond donor	47
XlogP	-8.5
Synonyms	N/A
Inchi Key	BUGHADOBNYFAMI-ZSXTUVMOSA-N
Inchi ID	InChI=1S/C143H236N40O38S/c1-18-77(11)113(181-119(200)81(15)162-128(209)103(68-110(193)194)170-118(199)80(14)161-120(201)89(146)64-84-44-48-86(187)49-45-84)139(220)176-101(65-83-35-24-23-25-36-83)133(214)183-115(82(16)186)140(221)177-102(67-108(148)191)132(213)179-106(72-185)136(217)173-100(66-85-46-50-87(188)51-47-85)131(212)167-94(42-34-59-158-143(154)155)123(204)166-92(39-29-31-56-145)127(208)180-112(76(9)10)137(218)175-97(61-73(3)4)121(202)159-70-88(189)37-26-21-20-22-27-43-109(192)160-79(13)117(198)164-93(41-33-58-157-142(152)153)122(203)165-91(38-28-30-55-144)124(205)171-99(63-75(7)8)130(211)172-98(62-74(5)6)129(210)168-95(52-53-107(147)190)125(206)174-104(69-111(195)196)134(215)182-114(78(12)19-2)138(219)169-96(54-60-222-17)126(207)178-105(71-184)135(216)163-90(116(149)197)40-32-57-156-141(150)151/h23-25,35-36,44-51,73-82,89-106,112-115,184-188H,18-22,26-34,37-43,52-72,144-146H2,1-17H3,(H2,147,190)(H2,148,191)(H2,149,197)(H,159,202)(H,160,192)(H,161,201)(H,162,209)(H,163,216)(H,164,198)(H,165,203)(H,166,204)(H,167,212)(H,168,210)(H,169,219)(H,170,199)(H,171,205)(H,172,211)(H,173,217)(H,174,206)(H,175,218)(H,176,220)(H,177,221)(H,178,207)(H,179,213)(H,180,208)(H,181,200)(H,182,215)(H,183,214)(H,193,194)(H,195,196)(H4,150,151,156)(H4,152,153,157)(H4,154,155,158)/t77-,78-,79-,80-,81-,82+,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,112-,113-,114-,115-/m0/s1
PubChem CID	91928706
ChEMBL	CHEMBL439298
IUPHAR	N/A
BindingDB	50004983
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
32999	Growth hormone-releasing hormone receptor	Q02644	Ghrhr	Rattus norvegicus (Rat)	464

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