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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	CHEMBL3758896
Molecular formula	C92H147N19O12S3
IUPAC name	(5S,15S,18S,21S,23S,28S,31S,34S,37S,40S,50S)-50-amino-15-(2-amino-2-oxoethyl)-34,40-dibenzyl-18,31-bis[3-(diaminomethylideneamino)propyl]-56-(hexadecylsulfanylmethyl)-37-(2-methylpropyl)-7,14,17,20,30,33,36,39,42,49-decaoxo-3,52-dithia-6,13,16,19,29,32,35,38,41,48-decazatetracyclo[52.3.1.021,29.023,28]octapentaconta-1(57),54(58),55-triene-5-carboxamide
Molecular weight	1807.49
Hydrogen bond acceptor	18
Hydrogen bond donor	16
XlogP	9.3
Synonyms	N/A
Inchi Key	KQKPARXKTVWERT-RZRIKMIHSA-N
Inchi ID	InChI=1S/C92H147N19O12S3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-31-48-124-57-65-50-66-52-67(51-65)59-126-61-76(82(95)115)105-81(114)43-26-20-30-45-101-84(117)75(56-79(94)112)110-85(118)70(39-32-46-102-91(96)97)106-89(122)78-55-68-38-27-28-41-77(68)111(78)90(123)71(40-33-47-103-92(98)99)107-88(121)74(54-64-36-23-18-24-37-64)109-86(119)72(49-62(2)3)108-87(120)73(53-63-34-21-17-22-35-63)104-80(113)42-25-19-29-44-100-83(116)69(93)60-125-58-66/h17-18,21-24,34-37,50-52,62,68-78H,4-16,19-20,25-33,38-49,53-61,93H2,1-3H3,(H2,94,112)(H2,95,115)(H,100,116)(H,101,117)(H,104,113)(H,105,114)(H,106,122)(H,107,121)(H,108,120)(H,109,119)(H,110,118)(H4,96,97,102)(H4,98,99,103)/t68-,69+,70-,71-,72-,73-,74-,75-,76+,77-,78-/m0/s1
PubChem CID	127028023
ChEMBL	CHEMBL3758896
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. This ligand has a partition coefficient log P greater than 5.

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
526475	Neuromedin-U receptor 1	Q9HB89	NMUR1	Homo sapiens (Human)	426
526476	Neuromedin-U receptor 2	Q9GZQ4	NMUR2	Homo sapiens (Human)	415

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