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BioLiP

PDB CCD ID: UA0
Number of entries in BioLiP: 1
Chemical formula: C12 H15 Cl N2 O
InChI: InChI=1S/C12H15ClN2O/c13-10-4-3-5-11(8-10)14-12(16)9-15-6-1-2-7-15/h3-5,8H,1-2,6-7,9H2,(H,14,16)
InChIKey: LYOGVEMYZLFKJY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1cccc(NC(=O)CN2CCCC2)c1
OpenEye OEToolkits 2.0.7c1cc(cc(c1)Cl)NC(=O)CN2CCCC2
Name:~{N}-(3-chlorophenyl)-2-pyrrolidin-1-yl-ethanamide
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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