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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	CHEMBL3616881
Molecular formula	C82H115N23O18S
IUPAC name	(2S)-2-[[1-[(3R)-2-[(2S)-2-[[2-[[2-[[1-[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]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	1743.03
Hydrogen bond acceptor	23
Hydrogen bond donor	23
XlogP	-3.8
Synonyms	BDBM50121662
Inchi Key	PSFLEBIVFDMOMW-IFIDKLSVSA-N
Inchi ID	InChI=1S/C82H115N23O18S/c1-45(95-69(112)54(83)34-47-25-27-51(107)28-26-47)68(111)93-40-66(109)96-58(35-46-14-3-2-4-15-46)71(114)98-55(20-9-29-90-80(84)85)70(113)99-56(21-10-30-91-81(86)87)75(118)102-32-12-24-62(102)77(120)104-43-52(108)38-63(104)73(116)94-41-67(110)97-59(39-53-19-13-33-124-53)72(115)101-60(44-106)76(119)103-42-50-18-6-5-16-48(50)36-65(103)78(121)105-61-23-8-7-17-49(61)37-64(105)74(117)100-57(79(122)123)22-11-31-92-82(88)89/h2-6,13-16,18-19,25-28,33,45,49,52,54-65,106-108H,7-12,17,20-24,29-32,34-44,83H2,1H3,(H,93,111)(H,94,116)(H,95,112)(H,96,109)(H,97,110)(H,98,114)(H,99,113)(H,100,117)(H,101,115)(H,122,123)(H4,84,85,90)(H4,86,87,91)(H4,88,89,92)/t45-,49?,52?,54+,55-,56+,57+,58+,59?,60+,61?,62+,63?,64?,65-/m1/s1
PubChem CID	122189857
ChEMBL	CHEMBL3616881
IUPHAR	N/A
BindingDB	50121662
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
495995	B2 bradykinin receptor	P25023	Bdkrb2	Rattus norvegicus (Rat)	396
495996	B2 bradykinin receptor	O70526	BDKRB2	Cavia porcellus (Guinea pig)	372
495994	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
495993	Mu-type opioid receptor	P33535	Oprm1	Rattus norvegicus (Rat)	398

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