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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	123809-85-8
Molecular formula	C72H114N24O17
IUPAC name	(2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methylpentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanediamide
Molecular weight	1587.85
Hydrogen bond acceptor	20
Hydrogen bond donor	22
XlogP	-3.9
Synonyms	CHEMBL2370897 BDBM85491 Leu13,Psi(CH2NH),Leu14-BN
Inchi Key	KXKRXZCGTAPUDX-OSHYTPHISA-N
Inchi ID	InChI=1S/C72H114N24O17/c1-35(2)23-42(31-82-49(61(76)103)24-36(3)4)87-69(111)52(27-41-30-79-34-85-41)89-59(102)33-84-71(113)60(38(7)8)96-62(104)39(9)86-68(110)51(26-40-29-81-44-14-11-10-13-43(40)44)95-67(109)48(17-20-55(74)98)93-70(112)53(28-56(75)99)90-58(101)32-83-63(105)50(25-37(5)6)94-64(106)45(15-12-22-80-72(77)78)91-66(108)47(16-19-54(73)97)92-65(107)46-18-21-57(100)88-46/h10-11,13-14,29-30,34-39,42,45-53,60,81-82H,12,15-28,31-33H2,1-9H3,(H2,73,97)(H2,74,98)(H2,75,99)(H2,76,103)(H,79,85)(H,83,105)(H,84,113)(H,86,110)(H,87,111)(H,88,100)(H,89,102)(H,90,101)(H,91,108)(H,92,107)(H,93,112)(H,94,106)(H,95,109)(H,96,104)(H4,77,78,80)/t39-,42-,45-,46-,47-,48-,49-,50-,51-,52-,53-,60-/m0/s1
PubChem CID	25079074
ChEMBL	CHEMBL2370897
IUPHAR	N/A
BindingDB	85491
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
180567	Bombesin receptor subtype-3	P32247	BRS3	Homo sapiens (Human)	399
180566	Gastrin-releasing peptide receptor	P52500	Grpr	Rattus norvegicus (Rat)	384
180568	Neuromedin-B receptor	P24053	Nmbr	Rattus norvegicus (Rat)	390

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