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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	CHEMBL2304098
Molecular formula	C76H106N20O14S
IUPAC name	(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid
Molecular weight	1555.87
Hydrogen bond acceptor	18
Hydrogen bond donor	18
XlogP	-1.6
Synonyms	N/A
Inchi Key	CQZSPIVYPKCTNT-SVMUELRZSA-N
Inchi ID	InChI=1S/C76H106N20O14S/c1-42(2)35-57(67(101)90-56(75(109)110)29-34-111-3)91-68(102)59(37-44-40-85-51-20-8-5-16-47(44)51)93-70(104)60(38-45-41-86-52-21-9-6-17-48(45)52)94-69(103)58(36-43-39-84-50-19-7-4-15-46(43)50)92-66(100)53(25-27-63(79)97)87-65(99)54(26-28-64(80)98)88-71(105)62-24-14-33-96(62)74(108)55(22-10-11-30-77)89-72(106)61-23-13-32-95(61)73(107)49(78)18-12-31-83-76(81)82/h4-9,15-17,19-21,39-42,49,53-62,84-86H,10-14,18,22-38,77-78H2,1-3H3,(H2,79,97)(H2,80,98)(H,87,99)(H,88,105)(H,89,106)(H,90,101)(H,91,102)(H,92,100)(H,93,104)(H,94,103)(H,109,110)(H4,81,82,83)/t49-,53-,54-,55-,56+,57-,58+,59+,60-,61-,62-/m0/s1
PubChem CID	44271120
ChEMBL	CHEMBL2304098
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
48601	Metabotropic glutamate receptor 3	P31422	Grm3	Rattus norvegicus (Rat)	879
48599	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407
48600	Substance-P receptor	P30547	TACR1	Cavia porcellus (Guinea pig)	407
48602	Substance-P receptor	P14600	Tacr1	Rattus norvegicus (Rat)	407

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