GIP

S-(N-HYDROXY-N-IODOPHENYLCARBAMOYL)GLUTATHIONE

Created:	1999-07-08
Last modified:	2011-06-04

Find Related PDB Entry
1 entries where GIP is found as a standalone ligand

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	54
Chiral Atom Count	3
Bond Count	54
Aromatic Bond Count	6

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	S-(N-HYDROXY-N-IODOPHENYLCARBAMOYL)GLUTATHIONE
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[hydroxy-[hydroxy-(4-iodophenyl)amino]methyl]sulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
Formula	C₁₇ H₂₃ I N₄ O₈ S
Molecular Weight	570.356
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Ic1ccc(N(O)C(O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)cc1
SMILES	CACTVS	3.341	N[CH](CCC(=O)N[CH](CS[CH](O)N(O)c1ccc(I)cc1)C(=O)NCC(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1N(C(O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O)I
Canonical SMILES	CACTVS	3.341	N[C@@H](CCC(=O)N[C@@H](CS[C@@H](O)N(O)c1ccc(I)cc1)C(=O)NCC(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1N(C(O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O)I
InChI	InChI	1.03	InChI=1S/C17H23IN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,17,29-30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t11-,12-,17+/m0/s1
InChIKey	InChI	1.03	SCHAHXXLASZJCD-NVGCLXPQSA-N

Drug Info: DrugBank

DrugBank ID	DB03330
Name	S-(N-hydroxy-N-iodophenylcarbamoyl)glutathione
Groups	experimental
Synonyms	(2S)-2-Amino-5-[[(2R)-1-(carboxymethylamino)-3-[(R)-hydroxy-(N-hydroxy-4-iodoanilino)methyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid S-(N-hydroxy-N-iodophenylcarbamoyl)glutathione

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Lactoylglutathione lyase	MAEPQPPSGGLTDEAALSCCSDADPSTKDFLLQQTMLRVKDPKKSLDFYT...	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