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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	BDBM50279801
Molecular formula	C106H153N25O32S5
IUPAC name	(3S)-3-[[(2S)-2-[[(2S)-2-[[(1R,4R,7S,10R,13S,16R,19S,22R,25R,28R,31S,36S,39R,42S,45R)-31-amino-7-(4-aminobutyl)-39-benzyl-4-(2-carboxyethyl)-10-(carboxymethyl)-19,22,28-tris(hydroxymethyl)-42-[(4-hydroxyphenyl)methyl]-16-(2-methylpropyl)-13-(2-methylsulfanylethyl)-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecaoxo-45-propan-2-yl-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecazabicyclo[23.22.4]henpentacontane-36-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S,3S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Molecular weight	2449.83
Hydrogen bond acceptor	40
Hydrogen bond donor	32
XlogP	-5.0
Synonyms	N/A
Inchi Key	AARZFDYUAZAEQA-VSTFLIFVSA-N
Inchi ID	InChI=1S/C106H153N25O32S5/c1-11-54(8)85(105(161)112-55(9)86(142)123-74(106(162)163)37-58-41-110-63-22-16-15-21-61(58)63)131-97(153)73(40-83(140)141)121-92(148)68(34-52(4)5)116-95(151)71(38-59-42-109-50-111-59)119-101(157)78-47-166-165-46-62(108)87(143)124-75(43-132)100(156)129-79-48-167-168-49-80(103(159)130-84(53(6)7)104(160)122-70(36-57-24-26-60(135)27-25-57)93(149)118-69(94(150)128-78)35-56-19-13-12-14-20-56)127-89(145)65(28-29-81(136)137)114-88(144)64(23-17-18-31-107)113-96(152)72(39-82(138)139)120-90(146)66(30-32-164-10)115-91(147)67(33-51(2)3)117-98(154)76(44-133)125-99(155)77(45-134)126-102(79)158/h12-16,19-22,24-27,41-42,50-55,62,64-80,84-85,110,132-135H,11,17-18,23,28-40,43-49,107-108H2,1-10H3,(H,109,111)(H,112,161)(H,113,152)(H,114,144)(H,115,147)(H,116,151)(H,117,154)(H,118,149)(H,119,157)(H,120,146)(H,121,148)(H,122,160)(H,123,142)(H,124,143)(H,125,155)(H,126,158)(H,127,145)(H,128,150)(H,129,156)(H,130,159)(H,131,153)(H,136,137)(H,138,139)(H,140,141)(H,162,163)/t54-,55-,62+,64-,65+,66-,67+,68-,69+,70-,71-,72+,73-,74-,75+,76-,77+,78+,79-,80-,84+,85-/m0/s1
PubChem CID	77282106
ChEMBL	CHEMBL263581
IUPHAR	N/A
BindingDB	50279801
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
481	Endothelin-1 receptor	P26684	Ednra	Rattus norvegicus (Rat)	426

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