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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	CHEMBL411997
Molecular formula	C47H63N13O12S2
IUPAC name	(3S)-3-amino-4-[[(2S)-1-[[(5S,8S,11S)-5-[[(2S)-1-[(2S)-2-[[(1S)-1-carboxy-2-phenylethyl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamoyl]-8-[(4-hydroxyphenyl)methyl]-7,10-dioxo-1,2-dithia-6,9-diazacyclotridec-11-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Molecular weight	1066.22
Hydrogen bond acceptor	17
Hydrogen bond donor	13
XlogP	-3.5
Synonyms	c(Hcy 3,5)Angiotensin II Asp-Arg-Hcy-Tyr--Hcy-His-Pro-Phe 3-Amino-N-{1-[5-[2-[2-(1-carboxy-2-phenyl-ethylcarbamoyl)-pyrrolidin-1-yl]-1-(3H-imidazol-4-ylmethyl)-2-oxo-ethylcarbamoyl]-8-(4-hydroxy-benzyl)-7,10-dioxo-1,2-dithia-6,9-diaza-cyclotridec-11-ylcarbamoyl]-4-guanidino-butyl}-succinamic acid BDBM50015662
Inchi Key	FULUKRVDSYUNQA-MDKUUQCZSA-N
Inchi ID	InChI=1S/C47H63N13O12S2/c48-30(23-38(62)63)39(64)54-31(8-4-16-52-47(49)50)40(65)55-32-14-18-73-74-19-15-33(56-43(68)34(57-41(32)66)20-27-10-12-29(61)13-11-27)42(67)58-35(22-28-24-51-25-53-28)45(70)60-17-5-9-37(60)44(69)59-36(46(71)72)21-26-6-2-1-3-7-26/h1-3,6-7,10-13,24-25,30-37,61H,4-5,8-9,14-23,48H2,(H,51,53)(H,54,64)(H,55,65)(H,56,68)(H,57,66)(H,58,67)(H,59,69)(H,62,63)(H,71,72)(H4,49,50,52)/t30-,31-,32-,33-,34-,35-,36-,37-/m0/s1
PubChem CID	14756123
ChEMBL	CHEMBL411997
IUPHAR	N/A
BindingDB	50015662
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
87532	Type-1B angiotensin II receptor	P29089	Agtr1b	Rattus norvegicus (Rat)	359

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