SEQ2FUN

BioLiP

PDB CCD ID: FHV
Number of entries in BioLiP: 1
Chemical formula: C12 H16 N2 O
InChI: InChI=1S/C12H16N2O/c1-10-5-4-6-11(9-10)13-12(15)14-7-2-3-8-14/h4-6,9H,2-3,7-8H2,1H3,(H,13,15)
InChIKey: GBAXIZXGDZHLTH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(Nc1cc(ccc1)C)N2CCCC2
OpenEye OEToolkits 1.7.6Cc1cccc(c1)NC(=O)N2CCCC2
CACTVS 3.385Cc1cccc(NC(=O)N2CCCC2)c1
Name:N-(3-METHYLPHENYL)PYRROLIDINE-1-CARBOXAMIDE
ChEMBL: CHEMBL1445271
ZINC: ZINC000004840665
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).