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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	CHEMBL429161
Molecular formula	C47H74N12O12S2
IUPAC name	(2S,5R)-1-[(4R,7S,10S,13S,16S,19S)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-5-tert-butylpyrrolidine-2-carboxamide
Molecular weight	1063.3
Hydrogen bond acceptor	15
Hydrogen bond donor	12
XlogP	-0.8
Synonyms	BDBM50087281 2N-(1-carbamoylmethylcarbamoyl-3-methylbutyl)-1-[6-amino-12-(sec-butyl)-15-(2-carbamoylethyl)-18-carbamoylmethyl-9-(4-hydroxybenzyl)-7,10,13,16,19-pentaoxo-3,4-dithia-8,11,14,17,20-pentaazacycloicosanylcarbonyl]-5-(tert-butyl)tetrahydro-1H-2-p
Inchi Key	BQAIZCWVMPMKDN-GEYUUAIJSA-N
Inchi ID	InChI=1S/C47H74N12O12S2/c1-8-24(4)38-45(70)53-28(13-16-35(49)61)41(66)55-31(19-36(50)62)42(67)57-32(22-73-72-21-27(48)39(64)54-30(43(68)58-38)18-25-9-11-26(60)12-10-25)46(71)59-33(14-15-34(59)47(5,6)7)44(69)56-29(17-23(2)3)40(65)52-20-37(51)63/h9-12,23-24,27-34,38,60H,8,13-22,48H2,1-7H3,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,70)(H,54,64)(H,55,66)(H,56,69)(H,57,67)(H,58,68)/t24-,27+,28-,29-,30-,31-,32-,33-,34+,38-/m0/s1
PubChem CID	44282365
ChEMBL	CHEMBL429161
IUPHAR	N/A
BindingDB	50087281
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
30078	Oxytocin receptor	P70536	Oxtr	Rattus norvegicus (Rat)	388

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