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BioLiP

PDB CCD ID: 0LF
Number of entries in BioLiP: 0
Chemical formula: C15 H21 N O3
InChI: InChI=1S/C15H21NO3/c17-15(18)14-10-13(11-16-14)19-9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,13-14,16H,4-5,8-11H2,(H,17,18)/t13-,14+/m1/s1
InChIKey: ZGDRYJSZIBKFTN-KGLIPLIRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)CCCCO[C@@H]2C[C@H](NC2)C(=O)O
CACTVS 3.370OC(=O)[CH]1C[CH](CN1)OCCCCc2ccccc2
CACTVS 3.370OC(=O)[C@@H]1C[C@H](CN1)OCCCCc2ccccc2
ACDLabs 12.01O=C(O)C2NCC(OCCCCc1ccccc1)C2
OpenEye OEToolkits 1.7.6c1ccc(cc1)CCCCOC2CC(NC2)C(=O)O
Name:(4R)-4-(4-phenylbutoxy)-L-proline
ZINC: ZINC000098207830
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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