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BioLiP

PDB CCD ID: 11Q
Number of entries in BioLiP: 0
Chemical formula: C12 H21 N O2
InChI: InChI=1S/C12H21NO2/c14-12(15)11-7-4-8-13(11)9-10-5-2-1-3-6-10/h10-11H,1-9H2,(H,14,15)/t11-/m0/s1
InChIKey: XRYRJXQJSTWFDB-NSHDSACASA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)C2N(CC1CCCCC1)CCC2
OpenEye OEToolkits 1.7.6C1CCC(CC1)CN2CCCC2C(=O)O
OpenEye OEToolkits 1.7.6C1CCC(CC1)CN2CCC[C@H]2C(=O)O
CACTVS 3.370OC(=O)[C@@H]1CCCN1CC2CCCCC2
CACTVS 3.370OC(=O)[CH]1CCCN1CC2CCCCC2
Name:1-(cyclohexylmethyl)-L-proline
ZINC: ZINC000008699068
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).
  • 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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