SEQ2FUN

BioLiP

PDB CCD ID: A1B39
Number of entries in BioLiP: 2
Chemical formula: C15 H17 N3 O2
InChI: InChI=1S/C15H17N3O2/c16-15(20)12-2-4-14(19)18(9-12)8-10-1-3-13-11(7-10)5-6-17-13/h1,3,5-7,12,17H,2,4,8-9H2,(H2,16,20)/t12-/m0/s1
InChIKey: RHJKYYVBPJDBPQ-LBPRGKRZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1cc2c(cc[nH]2)cc1CN3C[C@H](CCC3=O)C(=O)N
CACTVS 3.385NC(=O)[C@H]1CCC(=O)N(C1)Cc2ccc3[nH]ccc3c2
CACTVS 3.385NC(=O)[CH]1CCC(=O)N(C1)Cc2ccc3[nH]ccc3c2
OpenEye OEToolkits 3.1.0.0c1cc2c(cc[nH]2)cc1CN3CC(CCC3=O)C(=O)N
ACDLabs 14.52NC(=O)C1CCC(=O)N(Cc2cc3cc[NH]c3cc2)C1
Name:(3S)-1-[(1H-indol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
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).