BDT

5-beta-DIHYDROTESTOSTERONE

Created:	2008-07-15
Last modified:	2020-06-05

Find Related PDB Entry
2 entries where BDT 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	51
Chiral Atom Count	7
Bond Count	54
Aromatic Bond Count	0

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	5-beta-DIHYDROTESTOSTERONE
Synonyms	(5beta,8alpha,17beta)-17-hydroxyandrostan-3-one
Systematic Name (OpenEye OEToolkits)	(5R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Formula	C₁₉ H₃₀ O₂
Molecular Weight	290.44
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2CC1CCC3C(C1(C)CC2)CCC4(C3CCC4O)C
SMILES	CACTVS	3.341	C[C]12CC[CH]3[CH](CC[CH]4CC(=O)CC[C]34C)[CH]1CC[CH]2O
SMILES	OpenEye OEToolkits	1.5.0	CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4O)C
Canonical SMILES	CACTVS	3.341	C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C
InChI	InChI	1.03	InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14+,15+,16+,17+,18+,19+/m1/s1
InChIKey	InChI	1.03	NVKAWKQGWWIWPM-MISPCMORSA-N

Drug Info: DrugBank

DrugBank ID	DB07447
Name	5beta-dihydrotestosterone
Groups	experimental
Synonyms	5β-dihydrotestosterone (5β,8α,17β)-17-hydroxyandrostan-3-one (5β,17β)-17-hydroxyandrostan-3-one etiocholan-17-beta-ol-3-one 17β-hydroxyetiocholan-3-one 5-beta-DHT 5beta-dihydrotestosterone 5β-androstan-17β-ol-3-one 5β,17β-hydroxyandrostan-3-one
Categories	Testosterone and derivatives
CAS number	571-22-2

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
3-oxo-5-beta-steroid 4-dehydrogenase	MDLSAASHRIPLSDGNSIPIIGLGTYSEPKSTPKGACATSVKVAIDTGYR...	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