BioLiP

PDB

BioLiP

PDB CCD ID:

NOR

Number of entries in BioLiP:

Chemical formula:

C13 H25 N O3

InChI:

InChI=1S/C13H25NO3/c1-9(2)17-13(16)12(15)11(14)8-10-6-4-3-5-7-10/h9-12,15H,3-8,14H2,1-2H3/t11-,12+/m0/s1

InChIKey:

GSYSEQUYQXPNHH-NWDGAFQWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	CC(C)OC(=O)C(C(CC1CCCCC1)N)O
CACTVS 3.370	CC(C)OC(=O)[CH](O)[CH](N)CC1CCCCC1
OpenEye OEToolkits 1.7.0	CC(C)OC(=O)[C@@H]([C@H](CC1CCCCC1)N)O
CACTVS 3.370	CC(C)OC(=O)[C@H](O)[C@@H](N)CC1CCCCC1
ACDLabs 12.01	O=C(OC(C)C)C(O)C(N)CC1CCCCC1

Name:

CYCLOHEXYL-NORSTATINE

DrugBank:

DB08288

ZINC:

ZINC000005977113

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).