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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	CHEMBL2304032
Molecular formula	C80H112N16O17S2
IUPAC name	methyl (2R)-2-[[(2S)-2-[2-[[(2R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2R)-1-[(2S)-2-[[(2R)-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]ethylsulfanyl]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoate
Molecular weight	1633.99
Hydrogen bond acceptor	20
Hydrogen bond donor	13
XlogP	4.3
Synonyms	N/A
Inchi Key	AZDORURTTKCMBP-NUZVAGGGSA-N
Inchi ID	InChI=1S/C80H112N16O17S2/c1-51(2)46-65(74(105)91-60(38-44-114-4)77(108)111-3)115-45-41-85-68(99)61(47-52-22-9-5-10-23-52)92-71(102)62(48-53-24-11-6-12-25-53)93-70(101)56(34-36-66(81)97)88-69(100)57(35-37-67(82)98)89-72(103)63-32-20-42-95(63)75(106)58(30-17-18-39-87-79(109)112-49-54-26-13-7-14-27-54)90-73(104)64-33-21-43-96(64)76(107)59(31-19-40-86-78(83)84)94-80(110)113-50-55-28-15-8-16-29-55/h5-16,22-29,51,56-65H,17-21,30-50H2,1-4H3,(H2,81,97)(H2,82,98)(H,85,99)(H,87,109)(H,88,100)(H,89,103)(H,90,104)(H,91,105)(H,92,102)(H,93,101)(H,94,110)(H4,83,84,86)/t56-,57-,58-,59-,60+,61+,62-,63+,64+,65-/m0/s1
PubChem CID	70688944
ChEMBL	CHEMBL2304032
IUPHAR	N/A
BindingDB	50405460
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
18050	Metabotropic glutamate receptor 3	P31422	Grm3	Rattus norvegicus (Rat)	879
18049	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407
18051	Substance-P receptor	P30547	TACR1	Cavia porcellus (Guinea pig)	407
18052	Substance-P receptor	P14600	Tacr1	Rattus norvegicus (Rat)	407

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