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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	CHEMBL3759626
Molecular formula	C68H103N19O12S2
IUPAC name	(2S)-N-[6-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-6-oxohexyl]-2-[[(2S)-2-[[(3R)-2-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[6-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]hexanoylamino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]butanediamide
Molecular weight	1442.81
Hydrogen bond acceptor	17
Hydrogen bond donor	18
XlogP	-1.0
Synonyms	N/A
Inchi Key	AZRXIOXWFWDJLM-VFTSCDHBSA-N
Inchi ID	InChI=1S/C68H103N19O12S2/c1-41(2)33-49(84-63(96)50(34-42-19-7-3-8-20-42)80-56(89)27-11-5-15-29-76-59(92)46(69)39-100)62(95)85-51(35-43-21-9-4-10-22-43)64(97)83-48(26-18-32-79-68(74)75)66(99)87-38-45-24-14-13-23-44(45)36-54(87)65(98)82-47(25-17-31-78-67(72)73)61(94)86-52(37-55(70)88)60(93)77-30-16-6-12-28-57(90)81-53(40-101)58(71)91/h3-4,7-10,13-14,19-24,41,46-54,100-101H,5-6,11-12,15-18,25-40,69H2,1-2H3,(H2,70,88)(H2,71,91)(H,76,92)(H,77,93)(H,80,89)(H,81,90)(H,82,98)(H,83,97)(H,84,96)(H,85,95)(H,86,94)(H4,72,73,78)(H4,74,75,79)/t46-,47-,48-,49-,50-,51-,52-,53-,54+/m0/s1
PubChem CID	127026692
ChEMBL	CHEMBL3759626
IUPHAR	N/A
BindingDB	N/A
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
522017	Neuromedin-U receptor 1	Q9HB89	NMUR1	Homo sapiens (Human)	426
522018	Neuromedin-U receptor 2	Q9GZQ4	NMUR2	Homo sapiens (Human)	415

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