678

(3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-5-BROMO-4-OXIDOPHENYL)ACETATE

Find entries where: 678

is present as a standalone ligand in 1 entries

Find related ligands:

Chemical Component Summary
Name	(3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-5-BROMO-4-OXIDOPHENYL)ACETATE
Synonyms	CRA_9678
Identifiers	2-[3-[5-(amino-azaniumylidene-methyl)-1H-indol-2-yl]-5-bromo-4-oxido-phenyl]ethanoate
Formula	C₁₇ H₁₃ Br N₃ O₃
Molecular Weight	387.207
Type	NON-POLYMER
Isomeric SMILES	c1cc2c(cc1C(=[NH2+])N)cc([nH]2)c3cc(cc(c3[O-])Br)CC(=O)[O-]
InChI	InChI=1S/C17H14BrN3O3/c18-12-4-8(5-15(22)23)3-11(16(12)24)14-7-10-6-9(17(19)20)1-2-13(10)21-14/h1-4,6-7,21,24H,5H2,(H3,19,20)(H,22,23)/p-1
InChIKey	VIZNZQTZRMTYPZ-UHFFFAOYSA-M

Chemical Details
Formal Charge	-1
Atom Count	37
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	17

Drug Info: DrugBank

DrugBank ID	DB04563
Name	CRA_9678
Groups	experimental
Synonyms	CRA_9678

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Trypsin-1	MNPLLILTFVAAALAAPFDDDDKIVGGYNCEENSVPYQVSLNSGYHFCGG...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682