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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	CHEMBL2304089
Molecular formula	C92H118N20O18S
IUPAC name	(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-6-(phenylmethoxycarbonylamino)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	1824.14
Hydrogen bond acceptor	20
Hydrogen bond donor	18
XlogP	5.0
Synonyms	N/A
Inchi Key	FKDGEOSVURCORC-XAJDSATKSA-N
Inchi ID	InChI=1S/C92H118N20O18S/c1-54(2)45-71(81(117)105-70(89(125)126)39-44-131-3)106-82(118)73(47-58-50-100-64-29-14-11-26-61(58)64)108-84(120)74(48-59-51-101-65-30-15-12-27-62(59)65)109-83(119)72(46-57-49-99-63-28-13-10-25-60(57)63)107-80(116)66(35-37-77(93)113)102-79(115)67(36-38-78(94)114)103-85(121)75-33-19-42-111(75)87(123)68(31-16-17-40-98-91(127)129-52-55-21-6-4-7-22-55)104-86(122)76-34-20-43-112(76)88(124)69(32-18-41-97-90(95)96)110-92(128)130-53-56-23-8-5-9-24-56/h4-15,21-30,49-51,54,66-76,99-101H,16-20,31-48,52-53H2,1-3H3,(H2,93,113)(H2,94,114)(H,98,127)(H,102,115)(H,103,121)(H,104,122)(H,105,117)(H,106,118)(H,107,116)(H,108,120)(H,109,119)(H,110,128)(H,125,126)(H4,95,96,97)/t66-,67-,68-,69-,70+,71-,72+,73+,74-,75-,76-/m0/s1
PubChem CID	44271100
ChEMBL	CHEMBL2304089
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
80290	Metabotropic glutamate receptor 3	P31422	Grm3	Rattus norvegicus (Rat)	879
80289	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407
80291	Substance-P receptor	P30547	TACR1	Cavia porcellus (Guinea pig)	407

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