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BioLiP

PDB CCD ID: U1X
Number of entries in BioLiP: 2
Chemical formula: C11 H14 N2 O
InChI: InChI=1S/C11H14N2O/c14-11(13-8-4-5-9-13)12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,14)
InChIKey: NTBKXPQLQPBJJL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C(Nc1ccccc1)N2CCCC2
ACDLabs 12.01O=C(Nc1ccccc1)N1CCCC1
OpenEye OEToolkits 2.0.7c1ccc(cc1)NC(=O)N2CCCC2
Name:N-phenylpyrrolidine-1-carboxamide
ChEMBL: CHEMBL1709120
ZINC: ZINC000000292940
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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