SEQ2FUN

BioLiP

PDB CCD ID: A1BRW
Number of entries in BioLiP: 1
Chemical formula: C15 H18 N4 O2
InChI: InChI=1S/C15H18N4O2/c16-15(21)12-5-2-6-19(9-12)13(20)7-10-3-1-4-11-8-17-18-14(10)11/h1,3-4,8,12H,2,5-7,9H2,(H2,16,21)(H,17,18)/t12-/m0/s1
InChIKey: LGXQTWXKSGIVMI-LBPRGKRZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)[C@H]1CCCN(C1)C(=O)Cc2cccc3cn[nH]c23
OpenEye OEToolkits 3.1.0.0c1cc2cn[nH]c2c(c1)CC(=O)N3CCCC(C3)C(=O)N
ACDLabs 14.52NC(=O)C1CCCN(C1)C(=O)Cc1cccc2cn[NH]c12
CACTVS 3.385NC(=O)[CH]1CCCN(C1)C(=O)Cc2cccc3cn[nH]c23
OpenEye OEToolkits 3.1.0.0c1cc2cn[nH]c2c(c1)CC(=O)N3CCC[C@@H](C3)C(=O)N
Name:(3S)-1-[(1H-indazol-7-yl)acetyl]piperidine-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).