NDH

(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-DIHYDRONAPHTHALENE

Created:	2002-11-11
Last modified:	2020-06-05

Find Related PDB Entry
1 entries where NDH 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	22
Chiral Atom Count	2
Bond Count	23
Aromatic Bond Count	6

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-DIHYDRONAPHTHALENE
Synonyms	(1R,2S)-1,2-DIHYDRONAPHTHALENE-1,2-DIOL
Systematic Name (OpenEye OEToolkits)	(1R,2S)-1,2-dihydronaphthalene-1,2-diol
Formula	C₁₀ H₁₀ O₂
Molecular Weight	162.185
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC2C=Cc1c(cccc1)C2O
SMILES	CACTVS	3.341	O[CH]1C=Cc2ccccc2[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)C=CC(C2O)O
Canonical SMILES	CACTVS	3.341	O[C@H]1C=Cc2ccccc2[C@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)C=C[C@@H]([C@@H]2O)O
InChI	InChI	1.03	InChI=1S/C10H10O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,9-12H/t9-,10+/m0/s1
InChIKey	InChI	1.03	QPUHWUSUBHNZCG-VHSXEESVSA-N

Drug Info: DrugBank

DrugBank ID	DB08264
Name	(1R, 2S)-cis 1,2 dihydroxy-1,2-dihydronaphthalene
Groups	experimental
Description	(1R, 2S)-cis 1,2 dihydroxy-1,2-dihydronaphthalene is a solid. This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. Known drug targets of (1R, 2S)-cis 1,2 dihydroxy-1,2-dihydronaphthalene include naphthalene 1,2-dioxygenase subunit beta and naphthalene 1,2-dioxygenase subunit alpha.
Synonyms	(1R, 2S)-cis 1,2 dihydroxy-1,2-dihydronaphthalene

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Naphthalene 1,2-dioxygenase subunit alpha	MNYNNKILVSESGLSQKHLIHGDEELFQHELKTIFARNWLFLTHDSLIPA...	unknown
Naphthalene 1,2-dioxygenase subunit beta	MMINIQEDKLVSAHDAEEILRFFNCHDSALQQEATTLLTQEAHLLDIQAY...	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