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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	Labradimil
Molecular formula	C49H75N15O12S
IUPAC name	(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-methoxyphenyl)propyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight	1098.29
Hydrogen bond acceptor	17
Hydrogen bond donor	13
XlogP	-5.8
Synonyms	Bradykinin, 3-(trans-4-hydroxy-L-proline)-5-(3-(2-thienyl)-L-alanine)-8-de-L-phenylalanine-9-(N2-(2-amino-3-(4-methoxyphenyl)propyl)-L-arginine)-, (S)- L-Arginine, L-arginyl-L-prolyl-(4R)-4-hydroxy-L-prolyl-3-(2-thienyl)-L-alanylglycyl-L-seryl-L-prolyl-O-methyl-L-tyrosyl-psi(CH2-NH)- RMP 7 (S-(R,R))-L-Arginyl-L-prolyl-trans-4-hydroxy-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-N-(2-((4-(aminoiminomethyl)amino)-1-carboxybutyl)amino)-1-((4-methoxyphenyl)methyl)ethyl)-L-prolinamide 173220-35-4 CHEMBL2105864 Labradimil [USAN:INN] UNII-2MK663C346 768L759 DRG-0182 N2-((S)-2-(L-Arginyl-L-prolyl-trans-4-hydroxy-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-L-prolinamido)-3-(p-methoxyphenyl)propyl)-L-arginine (Hyp3,beta-(2-thienyl)-Ala5,Tyr(Me)8-(R)-Arg9)-Bradykinin Cereport L-Prolinamide, L-arginyl-L-prolyl-trans-4-hydroxy-L-prolyl-3-(2-thienyl)-L-alanylglycyl-L-seryl-N-(2-((4-((aminoiminomethyl)amino)-1-carboxybutyl)amino)-1-((4-methoxyphenyl)methyl)ethyl)-, (S-(R,R))- RMP-7 139183-63-4 2MK663C346 D0G0IZ Lobradimil [Hyp3,Thi5,4-Me-Tyr8psi(CH2-NH)Arg9]bradykinin (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine AC1OCF8R GTPL672 Receptor mediated permeabilizer (S-(R,R))-L-Arginyl-L-prolyl-trans-4-hydroxy-L-prolyl-3-(2-thienyl)-L-alanylglycyl-L-seryl-N-(2-((4-((aminoiminomethyl)amino)-1-carboxybutyl)amino)-1-((4-methoxyphenyl)methyl)ethyl)-L-prolinamide SCHEMBL411837 159768-75-9 N(sup 2)-((S)-2-(L-Arginyl-L-prolyl-trans-4-hydroxy-L-prolyglycyl-3-(2-thienyl)-L-alanyl-L-seryl-L-prolinamido)-3-(p-methoxyphenyl)propyl)-L-arginine (Hyp3,b-(2-thienyl)-Ala5,Tyr(Me)8-psi(CH2NH)Arg9)-Bradykinin [ Show all ]
Inchi Key	IDXCXSCCZNCXCL-XMADEQCMSA-N
Inchi ID	InChI=1S/C49H75N15O12S/c1-76-31-14-12-28(13-15-31)21-29(24-57-34(47(74)75)9-3-17-56-49(53)54)59-43(70)37-10-4-18-62(37)45(72)36(27-65)61-41(68)35(23-32-7-6-20-77-32)60-40(67)25-58-42(69)39-22-30(66)26-64(39)46(73)38-11-5-19-63(38)44(71)33(50)8-2-16-55-48(51)52/h6-7,12-15,20,29-30,33-39,57,65-66H,2-5,8-11,16-19,21-27,50H2,1H3,(H,58,69)(H,59,70)(H,60,67)(H,61,68)(H,74,75)(H4,51,52,55)(H4,53,54,56)/t29-,30+,33-,34-,35-,36-,37-,38-,39-/m0/s1
PubChem CID	6918284
ChEMBL	CHEMBL2105864
IUPHAR	672
BindingDB	N/A
DrugBank	DB06549
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
130875	B2 bradykinin receptor	P30411	BDKRB2	Homo sapiens (Human)	391
553941	B2 bradykinin receptor	P25023	Bdkrb2	Rattus norvegicus (Rat)	396

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