IMI

2-IMINOBIOTIN

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

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10 entries where IMI is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	3
Bond Count	34
Aromatic Bond Count	0

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Chemical Component Summary
Name	2-IMINOBIOTIN
Systematic Name (OpenEye OEToolkits)	5-[(3aS,4S,6aR)-2-imino-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
Formula	C₁₀ H₁₇ N₃ O₂ S
Molecular Weight	243.326
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CCCCC1SCC2NC(=[N@H])NC12
SMILES	CACTVS	3.341	OC(=O)CCCC[CH]1SC[CH]2NC(=N)N[CH]12
SMILES	OpenEye OEToolkits	1.5.0	C1C2C(C(S1)CCCCC(=O)O)NC(=N)N2
Canonical SMILES	CACTVS	3.341	OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=N)N[C@H]12
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=N)N2
InChI	InChI	1.03	InChI=1S/C10H17N3O2S/c11-10-12-6-5-16-7(9(6)13-10)3-1-2-4-8(14)15/h6-7,9H,1-5H2,(H,14,15)(H3,11,12,13)/t6-,7-,9-/m0/s1
InChIKey	InChI	1.03	WWVANQJRLPIHNS-ZKWXMUAHSA-N

Drug Info: DrugBank

DrugBank ID	DB03353
Name	2-Iminobiotin
Groups	investigational experimental
Synonyms	Hexahydro-2-imino-1h-thieno(3,4-d)imidazole-4-pentanoic acid Guanidinobiotin 2-Iminobiotin
Categories	Coenzymes Enzymes and Coenzymes Imidazoles
CAS number	13395-35-2

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Streptavidin	MRKIVVAAIAVSLTTVSITASASADPSKDSKAQVSAAEAGITGTWYNQLG...	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