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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	CHEMBL3578017
Molecular formula	C139H206N38O28
IUPAC name	(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-acetamido-3-[[4-[[(2S)-6-amino-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]pentanediamide
Molecular weight	2857.42
Hydrogen bond acceptor	33
Hydrogen bond donor	40
XlogP	2.1
Synonyms	BDBM50089439
Inchi Key	NAITVKNZDVDBSV-DFJVIGTOSA-N
Inchi ID	InChI=1S/C139H206N38O28/c1-73(2)56-98(117(143)186)164-125(194)101(58-75(5)6)167-131(200)108(66-86-69-155-92-35-21-20-34-91(86)92)174-129(198)105(63-81-28-16-15-17-29-81)171-130(199)107(65-85-32-24-31-84-30-18-19-33-90(84)85)173-119(188)93(36-22-23-52-140)159-115(185)51-50-114(184)156-71-111(158-80(14)179)135(204)170-100(57-74(3)4)124(193)161-95(38-26-54-153-138(147)148)122(191)175-109(67-87-70-151-72-157-87)132(201)172-106(64-83-42-46-89(181)47-43-83)128(197)166-103(60-77(9)10)127(196)176-110(68-113(142)183)133(202)168-102(59-76(7)8)126(195)169-104(61-78(11)12)134(203)177-116(79(13)178)136(205)163-96(39-27-55-154-139(149)150)120(189)162-97(48-49-112(141)182)123(192)160-94(37-25-53-152-137(145)146)121(190)165-99(118(144)187)62-82-40-44-88(180)45-41-82/h15-21,24,28-35,40-47,69-70,72-79,93-111,116,155,178,180-181H,22-23,25-27,36-39,48-68,71,140H2,1-14H3,(H2,141,182)(H2,142,183)(H2,143,186)(H2,144,187)(H,151,157)(H,156,184)(H,158,179)(H,159,185)(H,160,192)(H,161,193)(H,162,189)(H,163,205)(H,164,194)(H,165,190)(H,166,197)(H,167,200)(H,168,202)(H,169,195)(H,170,204)(H,171,199)(H,172,201)(H,173,188)(H,174,198)(H,175,191)(H,176,196)(H,177,203)(H4,145,146,152)(H4,147,148,153)(H4,149,150,154)/t79-,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107-,108-,109+,110+,111?,116+/m1/s1
PubChem CID	122178188
ChEMBL	CHEMBL3578017
IUPHAR	N/A
BindingDB	50089439
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
490037	Growth hormone secretagogue receptor type 1	Q92847	GHSR	Homo sapiens (Human)	366
490038	Neuropeptide Y receptor type 1	P25929	NPY1R	Homo sapiens (Human)	384
490039	Neuropeptide Y receptor type 2	P49146	NPY2R	Homo sapiens (Human)	381
490040	Neuropeptide Y receptor type 4	P50391	NPY4R	Homo sapiens (Human)	375
490041	Neuropeptide Y receptor type 5	Q15761	NPY5R	Homo sapiens (Human)	445

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