SEQ2FUN

BioLiP

PDB CCD ID: 4ZW
Number of entries in BioLiP: 2
Chemical formula: C14 H17 N3 O2
InChI: InChI=1S/C14H17N3O2/c18-13-8-10-7-9(1-2-12(10)17-13)14(19)16-11-3-5-15-6-4-11/h1-2,7,11,15H,3-6,8H2,(H,16,19)(H,17,18)
InChIKey: SWMKOYKJOHHEQD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc2c(cc1C(=O)NC3CCNCC3)CC(=O)N2
CACTVS 3.385O=C1Cc2cc(ccc2N1)C(=O)NC3CCNCC3
Name:2-oxidanylidene-N-piperidin-4-yl-1,3-dihydroindole-5-carboxamide
ChEMBL: CHEMBL3798717
ZINC: ZINC000076319921
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).