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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	CHEMBL3982815
Molecular formula	C95H123N19O10S2
IUPAC name	1-[3-[(2R,5R,8R,11S,14R,17R,20R,27S)-14-(4-aminobutyl)-5-benzyl-27-[bis[2-[[(6aS,9S,10aS)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]ethyl]amino]-3,6,9,12,15,18,21,28-octahydroxy-17-[(1S)-1-hydroxyethyl]-20-[(4-hydroxyphenyl)methyl]-11-(1H-indol-3-ylmethyl)-8-(pyridin-4-ylmethyl)-1,4,7,10,13,16,19,22-octazacyclooctacosa-3,6,9,12,15,18,21,28-octaen-2-yl]propyl]guanidine
Molecular weight	1755.27
Hydrogen bond acceptor	26
Hydrogen bond donor	17
XlogP	11.2
Synonyms	N/A
Inchi Key	BYXGHJZXSWDEAC-XTUZTTAWSA-N
Inchi ID	InChI=1S/C95H123N19O10S2/c1-57(115)86-94(124)110-77(45-59-27-29-66(116)30-28-59)87(117)100-34-12-10-26-81(114(38-40-125-55-61-42-70-68-19-13-23-73-84(68)64(51-103-73)48-82(70)112(2)53-61)39-41-126-56-62-43-71-69-20-14-24-74-85(69)65(52-104-74)49-83(71)113(3)54-62)93(123)106-76(25-15-35-101-95(97)98)88(118)107-78(44-58-16-5-4-6-17-58)90(120)108-79(46-60-31-36-99-37-32-60)91(121)109-80(47-63-50-102-72-21-8-7-18-67(63)72)92(122)105-75(89(119)111-86)22-9-11-33-96/h4-8,13-14,16-21,23-24,27-32,36-37,50-52,57,61-62,70-71,75-83,86,102-104,115-116H,9-12,15,22,25-26,33-35,38-49,53-56,96H2,1-3H3,(H,100,117)(H,105,122)(H,106,123)(H,107,118)(H,108,120)(H,109,121)(H,110,124)(H,111,119)(H4,97,98,101)/t57-,61-,62-,70-,71-,75+,76+,77+,78+,79+,80-,81-,82-,83-,86+/m0/s1
PubChem CID	134156765
ChEMBL	CHEMBL3982815
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. This ligand has a partition coefficient log P greater than 5.

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
548312	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
548313	Somatostatin receptor type 1	P30872	SSTR1	Homo sapiens (Human)	391
548314	Somatostatin receptor type 2	P30874	SSTR2	Homo sapiens (Human)	369

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