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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	Npc 349
Molecular formula	C56H83N19O13S2
IUPAC name	(2R)-3-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-2-[[(2S)-2-amino-3-thiophen-2-ylpropanoyl]-[(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)-2-[2-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]pentanoic acid
Molecular weight	1294.52
Hydrogen bond acceptor	22
Hydrogen bond donor	17
XlogP	-7.9
Synonyms	GTPL675 Arg(0)-(hyp(3)-thi(5,8)-D-phe(7))-BK B-4881 Arginyl-arginyl-prolyl-hydroxyprolyl-glycl-(2-thienyl)alanyl-seryl-phenylalanyl-(2-thienyl)alanyl-arginine Bradykinin, arginyl-hydroxyproly(3)-(2-thienylalanyl)(5)-phenylalanyl(7)-(2-thienylalanine)(8)- D-Arg-(hyp(3),thi(5,8),D-phe(7))bradykinin B 6572 L-Arginine, N2-(N-(N-(N-(N-(N-(1-(1-(N2-D-arginyl-L-arginyl)-L-prolyl)-trans-4-hydroxy-L-prolyl)glycyl)-3-(2-thienyl)-L-alanyl)-L-seryl)-D-phenylalanyl)-3-(2-thienyl)-L-alanyl)- Arg-3-hyp-5,8-thi-7-phe-bradykinin B-6572 NPC-349 (Arg(0)-hyp(3)-thi(5)-phe(7)-thi(8))bradykinin B 4162 Bradykinin, D-arg(0)-hyp(3)-D-phe(7)-thi(5,8) D03RYY AC1L3XNG B-4162 LS-171861 Arg-3-hyp-5-(2-thi-ala)-7-phe-8-(2-thi-ala)-bradykinin Bradykinin, arg-hyp(3)-gly-(2-thi-ala)(5)-phe(7)-(2-thi-ala)(8)- C56H83N19O13S2 [D-Arg0,Hyp2,3,Thi5,8,D-Phe7]bradykinin 111317-75-0 (mono(trifluoroacetate) salt) B 4881 [ Show all ]
Inchi Key	MHBUKMPYIGAURU-WIDHDRDXSA-N
Inchi ID	InChI=1S/C56H83N19O13S2/c57-35(13-4-17-66-53(60)61)45(80)71-38(14-5-18-67-54(62)63)50(85)74-20-6-15-42(74)44(79)34(16-19-68-55(64)65)56(52(87)88,43(78)28-70-47(82)39-24-31(77)27-69-39)75(49(84)37(59)26-33-12-8-22-90-33)51(86)40(23-30-9-2-1-3-10-30)72-48(83)41(29-76)73-46(81)36(58)25-32-11-7-21-89-32/h1-3,7-12,21-22,31,34-42,69,76-77H,4-6,13-20,23-29,57-59H2,(H,70,82)(H,71,80)(H,72,83)(H,73,81)(H,87,88)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68)/t31-,34?,35-,36+,37+,38+,39+,40-,41+,42+,56-/m1/s1
PubChem CID	123973
ChEMBL	N/A
IUPHAR	675
BindingDB	N/A
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
554318	B2 bradykinin receptor	P30411	BDKRB2	Homo sapiens (Human)	391
554319	B2 bradykinin receptor	P32299	Bdkrb2	Mus musculus (Mouse)	392

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