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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	CHEMBL3949224
Molecular formula	C59H84FN17O13
IUPAC name	(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-N-[(2S,3R)-1-[[(2S)-1-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-[(N'-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]hydrazinyl]-3-(3-fluorophenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]butanediamide
Molecular weight	1258.43
Hydrogen bond acceptor	16
Hydrogen bond donor	18
XlogP	-0.7
Synonyms	BDBM50196439 SCHEMBL12624697
Inchi Key	PQOWFTALCXVMIA-ZTZDPJFGSA-N
Inchi ID	InChI=1S/C59H84FN17O13/c1-31(2)24-44(53(85)70-42(17-11-23-66-58(64)65-5)51(83)71-43(50(63)82)28-36-30-67-40-15-7-6-14-39(36)40)74-59(90)77-76-56(88)46(27-35-12-10-13-37(60)25-35)73-57(89)49(32(3)78)75-55(87)47(29-48(62)81)72-52(84)41(16-8-9-22-61)69-54(86)45(68-33(4)79)26-34-18-20-38(80)21-19-34/h6-7,10,12-15,18-21,25,30-32,41-47,49,67,78,80H,8-9,11,16-17,22-24,26-29,61H2,1-5H3,(H2,62,81)(H2,63,82)(H,68,79)(H,69,86)(H,70,85)(H,71,83)(H,72,84)(H,73,89)(H,75,87)(H,76,88)(H3,64,65,66)(H2,74,77,90)/t32-,41+,42+,43+,44+,45-,46+,47+,49+/m1/s1
PubChem CID	24996490
ChEMBL	CHEMBL3949224
IUPHAR	N/A
BindingDB	50196439
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
543087	KiSS-1 receptor	Q924U1	Kiss1r	Rattus norvegicus (Rat)	396
543088	KiSS-1 receptor	Q969F8	KISS1R	Homo sapiens (Human)	398

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