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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 44566141
Molecular formula	C143H226N40O39S
IUPAC name	(3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]-methylamino]acetyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoic acid
Molecular weight	3161.68
Hydrogen bond acceptor	47
Hydrogen bond donor	47
XlogP	-10.2
Synonyms	N/A
Inchi Key	OJUSTHJCBNHHIQ-GIJPRFPSSA-N
Inchi ID	InChI=1S/C143H226N40O39S/c1-17-76(10)114(179-109(192)67-183(15)141(222)104(65-111(195)196)175-136(217)105(68-184)176-120(201)89(147)63-85-66-154-71-157-85)139(220)173-102(59-81-29-19-18-20-30-81)133(214)182-115(80(14)187)140(221)174-103(64-110(193)194)132(213)178-107(70-186)135(216)172-101(62-84-40-46-88(190)47-41-84)131(212)177-106(69-185)134(215)164-94(35-28-55-156-143(152)153)126(207)170-99(60-82-36-42-86(188)43-37-82)129(210)163-93(34-27-54-155-142(150)151)124(205)161-90(31-21-24-51-144)122(203)165-95(48-49-108(148)191)127(208)166-96(50-56-223-16)121(202)159-79(13)119(200)180-112(74(6)7)137(218)167-92(33-23-26-53-146)123(204)162-91(32-22-25-52-145)125(206)171-100(61-83-38-44-87(189)45-39-83)130(211)169-98(58-73(4)5)128(209)160-77(11)117(198)158-78(12)118(199)181-113(75(8)9)138(219)168-97(116(149)197)57-72(2)3/h18-20,29-30,36-47,66,71-80,89-107,112-115,184-190H,17,21-28,31-35,48-65,67-70,144-147H2,1-16H3,(H2,148,191)(H2,149,197)(H,154,157)(H,158,198)(H,159,202)(H,160,209)(H,161,205)(H,162,204)(H,163,210)(H,164,215)(H,165,203)(H,166,208)(H,167,218)(H,168,219)(H,169,211)(H,170,207)(H,171,206)(H,172,216)(H,173,220)(H,174,221)(H,175,217)(H,176,201)(H,177,212)(H,178,213)(H,179,192)(H,180,200)(H,181,199)(H,182,214)(H,193,194)(H,195,196)(H4,150,151,155)(H4,152,153,156)/t76-,77-,78-,79-,80+,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,112-,113-,114-,115-/m0/s1
PubChem CID	44566141
ChEMBL	CHEMBL526116
IUPHAR	N/A
BindingDB	50250050
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
243133	Pituitary adenylate cyclase-activating polypeptide type I receptor	P41586	ADCYAP1R1	Homo sapiens (Human)	468

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