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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	CHEMBL3616878
Molecular formula	C82H114N22O17S
IUPAC name	(2S)-2-[[1-[(3R)-2-[(2S)-2-[[2-[[2-[[1-[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid
Molecular weight	1712.01
Hydrogen bond acceptor	22
Hydrogen bond donor	21
XlogP	-2.9
Synonyms	BDBM50121679
Inchi Key	RNRZOTCBHVPTGT-NWFAGNJCSA-N
Inchi ID	InChI=1S/C82H114N22O17S/c83-54(36-47-26-28-51(106)29-27-47)74(115)100-33-11-24-62(100)72(113)98-58(37-46-14-2-1-3-15-46)69(110)95-55(20-8-30-90-80(84)85)68(109)96-56(21-9-31-91-81(86)87)75(116)101-34-12-25-63(101)77(118)103-44-52(107)40-64(103)71(112)93-42-67(108)94-59(41-53-19-13-35-122-53)70(111)99-60(45-105)76(117)102-43-50-18-5-4-16-48(50)38-66(102)78(119)104-61-23-7-6-17-49(61)39-65(104)73(114)97-57(79(120)121)22-10-32-92-82(88)89/h1-5,13-16,18-19,26-29,35,49,52,54-66,105-107H,6-12,17,20-25,30-34,36-45,83H2,(H,93,112)(H,94,108)(H,95,110)(H,96,109)(H,97,114)(H,98,113)(H,99,111)(H,120,121)(H4,84,85,90)(H4,86,87,91)(H4,88,89,92)/t49?,52?,54-,55+,56-,57-,58-,59?,60-,61?,62-,63-,64?,65?,66+/m0/s1
PubChem CID	122189854
ChEMBL	CHEMBL3616878
IUPHAR	N/A
BindingDB	50121679
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
500072	B2 bradykinin receptor	P25023	Bdkrb2	Rattus norvegicus (Rat)	396
500070	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
500071	Mu-type opioid receptor	P33535	Oprm1	Rattus norvegicus (Rat)	398

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