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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	CHEMBL438724
Molecular formula	C67H113N17O17
IUPAC name	(4S)-4-[[(8S)-8-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S,5S,8S,17R)-17-acetamido-5-(1H-imidazol-5-ylmethyl)-2-methyl-3,6,14,18-tetraoxo-1,4,7,13-tetrazacyclooctadecane-8-carbonyl]amino]-4-amino-4-oxobutanoyl]amino]propanoyl]amino]-6-aminohexanoyl]amino]-10-methyl-7-oxo-2-propan-2-ylundecanoyl]amino]-5-[[(2S,3S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Molecular weight	1428.74
Hydrogen bond acceptor	19
Hydrogen bond donor	17
XlogP	-2.5
Synonyms	Ac-(Glu-Ala-His-Lys)-Leu-Ala-Lys-Leu-Nle-Glu-Ile-Ile-NH2 BDBM50139910
Inchi Key	ANCKUCKTAIGDLE-YNFQJCBDSA-N
Inchi ID	InChI=1S/C67H113N17O17/c1-12-37(7)55(57(70)91)83-67(101)56(38(8)13-2)84-64(98)47(25-27-54(89)90)78-60(94)43(36(5)6)20-14-15-23-51(86)48(30-35(3)4)80-62(96)44(21-16-18-28-68)77-58(92)39(9)75-65(99)50(32-52(69)87)82-63(97)45-22-17-19-29-72-53(88)26-24-46(76-41(11)85)61(95)74-40(10)59(93)81-49(66(100)79-45)31-42-33-71-34-73-42/h33-40,43-50,55-56H,12-32,68H2,1-11H3,(H2,69,87)(H2,70,91)(H,71,73)(H,72,88)(H,74,95)(H,75,99)(H,76,85)(H,77,92)(H,78,94)(H,79,100)(H,80,96)(H,81,93)(H,82,97)(H,83,101)(H,84,98)(H,89,90)/t37-,38-,39+,40-,43?,44-,45-,46+,47-,48-,49-,50-,55-,56-/m0/s1
PubChem CID	44267068
ChEMBL	CHEMBL438724
IUPHAR	N/A
BindingDB	50139910
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
9446	Corticotropin-releasing factor receptor 1	P34998	CRHR1	Homo sapiens (Human)	444

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