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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	CHEMBL526137
Molecular formula	C95H151N29O28S
IUPAC name	(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-hydroxypropanoic acid
Molecular weight	2179.49
Hydrogen bond acceptor	35
Hydrogen bond donor	34
XlogP	-12.3
Synonyms	N/A
Inchi Key	IBVHHSBLHOSMGM-JXPMTHCYSA-N
Inchi ID	InChI=1S/C95H151N29O28S/c1-50(2)75(122-73(133)45-106-80(137)67(42-71(101)131)119-89(146)66(41-56-25-19-36-104-43-56)117-88(145)64(116-79(136)57(99)47-125)39-54-21-9-7-10-22-54)91(148)107-46-74(134)123-76(52(4)128)92(149)108-44-72(132)110-63(32-38-153-6)85(142)112-59(27-14-17-34-97)82(139)113-60(28-15-18-35-98)86(143)124-77(53(5)129)93(150)120-68(48-126)90(147)118-65(40-55-23-11-8-12-24-55)87(144)115-62(30-31-70(100)130)84(141)114-61(29-20-37-105-95(102)103)81(138)109-51(3)78(135)111-58(26-13-16-33-96)83(140)121-69(49-127)94(151)152/h7-12,19,21-25,36,43,50-53,57-69,75-77,125-129H,13-18,20,26-35,37-42,44-49,96-99H2,1-6H3,(H2,100,130)(H2,101,131)(H,106,137)(H,107,148)(H,108,149)(H,109,138)(H,110,132)(H,111,135)(H,112,142)(H,113,139)(H,114,141)(H,115,144)(H,116,136)(H,117,145)(H,118,147)(H,119,146)(H,120,150)(H,121,140)(H,122,133)(H,123,134)(H,124,143)(H,151,152)(H4,102,103,105)/t51-,52+,53+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,75-,76-,77-/m0/s1
PubChem CID	44580140
ChEMBL	CHEMBL526137
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
129472	Neuropeptide S receptor	Q8BZP8	Npsr1	Mus musculus (Mouse)	371

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