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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	CHEMBL2151653
Molecular formula	C65H85N17O14
IUPAC name	(2S)-N-[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-[(N'-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]butanediamide
Molecular weight	1328.5
Hydrogen bond acceptor	16
Hydrogen bond donor	18
XlogP	-0.3
Synonyms	BDBM50392412
Inchi Key	VZQWRKAHIZUTDA-JMQQQMJGSA-N
Inchi ID	InChI=1S/C65H85N17O14/c1-36(2)27-47(58(90)73-45(19-12-26-72-64(70)71-3)57(89)74-46(55(69)87)30-37-13-6-4-7-14-37)80-65(96)82-81-63(95)49(31-38-15-8-5-9-16-38)77-62(94)52(35-83)79-61(93)51(34-54(68)86)78-59(91)48(32-40-20-23-41-17-10-11-18-42(41)28-40)76-60(92)50(33-53(67)85)75-56(88)44(66)29-39-21-24-43(84)25-22-39/h4-11,13-18,20-25,28,36,44-52,83-84H,12,19,26-27,29-35,66H2,1-3H3,(H2,67,85)(H2,68,86)(H2,69,87)(H,73,90)(H,74,89)(H,75,88)(H,76,92)(H,77,94)(H,78,91)(H,79,93)(H,81,95)(H3,70,71,72)(H2,80,82,96)/t44-,45+,46+,47+,48+,49+,50+,51+,52+/m1/s1
PubChem CID	71460220
ChEMBL	CHEMBL2151653
IUPHAR	N/A
BindingDB	50392412
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
368145	KiSS-1 receptor	Q924U1	Kiss1r	Rattus norvegicus (Rat)	396
368146	KiSS-1 receptor	Q969F8	KISS1R	Homo sapiens (Human)	398

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