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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	CHEMBL3038102
Molecular formula	C58H89N19O13S
IUPAC name	(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]-benzylamino]acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight	1292.53
Hydrogen bond acceptor	18
Hydrogen bond donor	15
XlogP	-6.5
Synonyms	BDBM50408055
Inchi Key	QJCPFCVGLREGMA-YGGXVMMGSA-N
Inchi ID	InChI=1S/C58H89N19O13S/c59-37(15-6-20-66-56(60)61)48(82)71-38(16-7-21-67-57(62)63)53(87)75-23-9-19-43(75)54(88)76-30-35(79)26-44(76)50(84)69-28-46(80)70-40(27-36-14-10-24-91-36)49(83)73-41(32-78)52(86)74(29-33-11-2-1-3-12-33)31-47(81)77-42-18-5-4-13-34(42)25-45(77)51(85)72-39(55(89)90)17-8-22-68-58(64)65/h1-3,10-12,14,24,34-35,37-45,78-79H,4-9,13,15-23,25-32,59H2,(H,69,84)(H,70,80)(H,71,82)(H,72,85)(H,73,83)(H,89,90)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68)/t34?,35-,37+,38+,39+,40+,41+,42?,43+,44+,45+/m1/s1
PubChem CID	73346675
ChEMBL	CHEMBL3038102
IUPHAR	N/A
BindingDB	50408055
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
279568	B1 bradykinin receptor	P46663	BDKRB1	Homo sapiens (Human)	353
279569	B2 bradykinin receptor	P30411	BDKRB2	Homo sapiens (Human)	391
279570	B2 bradykinin receptor	P25023	Bdkrb2	Rattus norvegicus (Rat)	396

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