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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	CHEMBL402669
Molecular formula	C70H103N13O13
IUPAC name	(2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hexadecanoyloxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-naphthalen-1-ylpropanoic acid
Molecular weight	1334.67
Hydrogen bond acceptor	15
Hydrogen bond donor	12
XlogP	9.5
Synonyms	BDBM50408259
Inchi Key	DZFNZWQGZFYCMN-JTXXMHATSA-N
Inchi ID	InChI=1S/C70H103N13O13/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-31-59(86)96-42-57(76-46(6)84)64(89)77-53(29-23-36-74-70(71)72)62(87)81-60(44(2)3)66(91)78-54(38-47-32-34-51(85)35-33-47)63(88)82-61(45(4)5)67(92)79-55(40-50-41-73-43-75-50)68(93)83-37-24-30-58(83)65(90)80-56(69(94)95)39-49-27-22-26-48-25-20-21-28-52(48)49/h20-22,25-28,32-35,41,43-45,53-58,60-61,85H,7-19,23-24,29-31,36-40,42H2,1-6H3,(H,73,75)(H,76,84)(H,77,89)(H,78,91)(H,79,92)(H,80,90)(H,81,87)(H,82,88)(H,94,95)(H4,71,72,74)/t53-,54-,55-,56+,57-,58-,60-,61-/m0/s1
PubChem CID	44340064
ChEMBL	CHEMBL402669
IUPHAR	N/A
BindingDB	50408259
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. This ligand has a partition coefficient log P greater than 5.

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
72599	Type-1 angiotensin II receptor	P34976	AGTR1	Oryctolagus cuniculus (Rabbit)	359
72600	Type-1 angiotensin II receptor	P25104	AGTR1	Bos taurus (Bovine)	359

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