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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	Icatibant
Molecular formula	C59H89N19O13S
IUPAC name	(2S)-2-[[(2S,3aS,7aS)-1-[(3R)-2-[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-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]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight	1304.54
Hydrogen bond acceptor	18
Hydrogen bond donor	15
XlogP	-6.4
Synonyms	CHEMBL2028850 HOE140 L-Arginine, D-arginyl-L-arginyl-L-prolyl-trans-4-hydroxy-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-D-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-L-(2alpha,3abeta,7abeta)-octahydro-1H-indole-2-carbonyl- AC1OCF3T Firazyr HY-17446 C59H89N19O13S Hoe-140 Icatibant [INN:BAN] 138614-30-9 (acetate) CS-3381 HOE140;HOE 140;HOE-140 UNII-7PG89G35Q7 BDBM50403371 HOE 140 130308-48-4 HOE-140 (Icatibant) JE 049 3729AH D-Arg-L-Arg-L-Pro-L-Hyp-Gly-L-(2-thienyl)Ala-L-Ser-D-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-L-(2\|A,3\|A,7a\|A)-octahydro-1H-indole-2-carbonyl-L-Arg Hoechst 140 7PG89G35Q7 BDBM50406750 HOE 140, >=94% Icatibant acetate 138614-30-9 [ Show all ]
Inchi Key	QURWXBZNHXJZBE-SKXRKSCCSA-N
Inchi ID	InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45-,46+/m0/s1
PubChem CID	6918173
ChEMBL	CHEMBL2028850
IUPHAR	N/A
BindingDB	50403371, 50406750
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
287281	B2 bradykinin receptor	P30411	BDKRB2	Homo sapiens (Human)	391
287282	B2 bradykinin receptor	O70526	BDKRB2	Cavia porcellus (Guinea pig)	372
287283	B2 bradykinin receptor	P25023	Bdkrb2	Rattus norvegicus (Rat)	396

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