IND

INDOLE

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

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20 entries where IND is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	10

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Chemical Component Summary
Name	INDOLE
Systematic Name (OpenEye OEToolkits)	1H-indole
Formula	C₈ H₇ N
Molecular Weight	117.148
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	c1cccc2c1ccn2
SMILES	CACTVS	3.341	[nH]1ccc2ccccc12
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)cc[nH]2
Canonical SMILES	CACTVS	3.341	[nH]1ccc2ccccc12
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)cc[nH]2
InChI	InChI	1.03	InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
InChIKey	InChI	1.03	SIKJAQJRHWYJAI-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04532
Name	Indole
Groups	experimental
Synonyms	Indole
Categories	Heterocyclic Compounds, Fused-Ring
CAS number	120-72-9

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Lysozyme	MNIFEMLRIDERLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAI...	unknown
Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase	MQTLHALLRDIPAPDAEAMARAQQHIDGLLKPPGSLGRLETLAVQLAGMP...	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