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BioLiP

PDB CCD ID: NOR
Number of entries in BioLiP: 0
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:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(C)OC(=O)C(C(CC1CCCCC1)N)O
CACTVS 3.370CC(C)OC(=O)[CH](O)[CH](N)CC1CCCCC1
OpenEye OEToolkits 1.7.0CC(C)OC(=O)[C@@H]([C@H](CC1CCCCC1)N)O
CACTVS 3.370CC(C)OC(=O)[C@H](O)[C@@H](N)CC1CCCCC1
ACDLabs 12.01O=C(OC(C)C)C(O)C(N)CC1CCCCC1
Name:CYCLOHEXYL-NORSTATINE
DrugBank: DB08288
ZINC: ZINC000005977113
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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