SEQ2FUN

BioLiP

PDB CCD ID: A1BPG
Number of entries in BioLiP: 1
Chemical formula: C14 H19 N3 O2
InChI: InChI=1S/C14H19N3O2/c1-10-5-2-3-7-12(10)16-14(19)17-8-4-6-11(9-17)13(15)18/h2-3,5,7,11H,4,6,8-9H2,1H3,(H2,15,18)(H,16,19)/t11-/m0/s1
InChIKey: AIEHCHWAPRSECY-NSHDSACASA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccccc1NC(=O)N2CCC[C@@H](C2)C(N)=O
OpenEye OEToolkits 3.1.0.0Cc1ccccc1NC(=O)N2CCCC(C2)C(=O)N
ACDLabs 14.52O=C(Nc1ccccc1C)N1CCCC(C1)C(N)=O
OpenEye OEToolkits 3.1.0.0Cc1ccccc1NC(=O)N2CCC[C@@H](C2)C(=O)N
CACTVS 3.385Cc1ccccc1NC(=O)N2CCC[CH](C2)C(N)=O
Name:(3S)-N~1~-(2-methylphenyl)piperidine-1,3-dicarboxamide
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).