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BioLiP

PDB CCD ID: D8D
Number of entries in BioLiP: 1
Chemical formula: C14 H24 N2 O3
InChI: InChI=1S/C14H24N2O3/c1-15-13(17)12(10-6-3-2-4-7-10)16-9-5-8-11(16)14(18)19/h10-12H,2-9H2,1H3,(H,15,17)(H,18,19)/t11-,12+/m0/s1
InChIKey: OCMCWMIWKWLBKH-NWDGAFQWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CNC(=O)[C@@H](C1CCCCC1)N2CCC[C@H]2C(=O)O
CACTVS 3.385CNC(=O)[C@@H](C1CCCCC1)N2CCC[C@H]2C(O)=O
CACTVS 3.385CNC(=O)[CH](C1CCCCC1)N2CCC[CH]2C(O)=O
OpenEye OEToolkits 2.0.6CNC(=O)C(C1CCCCC1)N2CCCC2C(=O)O
ACDLabs 12.01C1C(CCCC1)C(N2C(CCC2)C(O)=O)C(=O)NC
Name:1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-L-proline
ZINC: ZINC000078931370
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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