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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	CHEMBL2304111
Molecular formula	C80H111N17O18S
IUPAC name	methyl (2R)-2-[[(2S)-2-[[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-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoate
Molecular weight	1630.93
Hydrogen bond acceptor	20
Hydrogen bond donor	14
XlogP	3.0
Synonyms	N/A
Inchi Key	FEXZPMJWZJFFGM-KIHOYDOBSA-N
Inchi ID	InChI=1S/C80H111N17O18S/c1-50(2)44-60(71(104)92-59(38-43-116-4)77(110)113-3)88-67(100)47-87-68(101)61(45-51-22-9-5-10-23-51)93-72(105)62(46-52-24-11-6-12-25-52)94-70(103)55(34-36-65(81)98)89-69(102)56(35-37-66(82)99)90-73(106)63-32-20-41-96(63)75(108)57(30-17-18-39-86-79(111)114-48-53-26-13-7-14-27-53)91-74(107)64-33-21-42-97(64)76(109)58(31-19-40-85-78(83)84)95-80(112)115-49-54-28-15-8-16-29-54/h5-16,22-29,50,55-64H,17-21,30-49H2,1-4H3,(H2,81,98)(H2,82,99)(H,86,111)(H,87,101)(H,88,100)(H,89,102)(H,90,106)(H,91,107)(H,92,104)(H,93,105)(H,94,103)(H,95,112)(H4,83,84,85)/t55-,56-,57-,58-,59+,60-,61-,62+,63-,64-/m0/s1
PubChem CID	44271183
ChEMBL	CHEMBL2304111
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
76744	Metabotropic glutamate receptor 3	P31422	Grm3	Rattus norvegicus (Rat)	879
76741	Substance-P receptor	P30547	TACR1	Cavia porcellus (Guinea pig)	407
76742	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407
76743	Substance-P receptor	P14600	Tacr1	Rattus norvegicus (Rat)	407

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