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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	Anatibant
Molecular formula	C34H36Cl2N6O5S
IUPAC name	(2S)-N-[3-[(4-carbamimidoylbenzoyl)amino]propyl]-1-[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carboxamide
Molecular weight	711.659
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	5.0
Synonyms	LF16-0687 (2S)-N-(3-(4-Carbamimidoylbenzamido)propyl)-1-(2,4-dichloro-3-((2,4-dimethyl-8-quinolyloxy)methyl)phenylsulfonyl)pyrrolidine-2-carboxamide 733A459 CTK4E5576 UNII-CLO4JRD21F (2S)-N-[3-[(4-carbamimidoylbenzoyl)amino]propyl]-1-[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carboxamide Anatibant [INN] DB05038 209733-45-9 CHEMBL2107725 LF 16-0687 LF160687 (2S)-N-(3-(4-Carbamimidoylbenzamido)propyl)-1-{2,4-dichloro-3-((2,4-dimethyl-8-quinolyloxy)methyl)phenylsulfonyl}pyrrolidine-2-carboxamide AN-29879 D09BPN XY-2405 1-((2,4-dichloro-3-(((2,4-dimethylquinolin-8-yl)oxy) methyl)phenyl)sulfonyl)-N-(3-((4-(aminoimethyl) phenyl) carbonylamino)propyl)-2(S)-pyrrolidinecarboxamide BCP18839 DTXSID40175160 CLO4JRD21F LF-16-0687 SCHEMBL6945415 (2S)-N-[3-[(4-carbamimidoylbenzoyl)amino]propyl]-1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonyl-pyrrolidine-2-carboxamide ZINC53261548 2-Pyrrolidinecarboxamide,N-[3-[[4-(aminoiminomethyl)benzoyl]amino]propyl]-1-[[2,4-dichloro-3-[[(2,4-dimethyl-8-quinolinyl)oxy]methyl]phenyl]sulfonyl]-,(2S)- C20010 GTPL679 [ Show all ]
Inchi Key	XUHBBTKJWIBQMY-MHZLTWQESA-N
Inchi ID	InChI=1S/C34H36Cl2N6O5S/c1-20-18-21(2)41-31-24(20)6-3-8-28(31)47-19-25-26(35)13-14-29(30(25)36)48(45,46)42-17-4-7-27(42)34(44)40-16-5-15-39-33(43)23-11-9-22(10-12-23)32(37)38/h3,6,8-14,18,27H,4-5,7,15-17,19H2,1-2H3,(H3,37,38)(H,39,43)(H,40,44)/t27-/m0/s1
PubChem CID	9831652
ChEMBL	N/A
IUPHAR	679
BindingDB	N/A
DrugBank	DB05038
Structure SDF download
Lipinski's druglikeness	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
401059	B2 bradykinin receptor	P30411	BDKRB2	Homo sapiens (Human)	391
555282	B2 bradykinin receptor	P25023	Bdkrb2	Rattus norvegicus (Rat)	396

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