BioLiP

PDB

BioLiP

PDB CCD ID:

A1IOS

Number of entries in BioLiP:

Chemical formula:

C21 H32 N2 O

InChI:

InChI=1S/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15+,16-,17-,19-,20-,21-/m0/s1

InChIKey:

LKAJKIOFIWVMDJ-IYRCEVNGSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(Cc5c[nH]nc5C4)C
CACTVS 3.385	C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5n[nH]cc5C[C@]4(C)[C@H]3CC[C@]12C
CACTVS 3.385	C[C]1(O)CC[CH]2[CH]3CC[CH]4Cc5n[nH]cc5C[C]4(C)[CH]3CC[C]12C
OpenEye OEToolkits 2.0.7	CC12CCC3C(C1CCC2(C)O)CCC4C3(Cc5c[nH]nc5C4)C

Name:

stanozolol

ChEMBL:

CHEMBL2079587

DrugBank:

DB06718

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).