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BioLiP

PDB CCD ID: X76
Number of entries in BioLiP: 1
Chemical formula: C13 H13 N3 O
InChI: InChI=1S/C13H13N3O/c14-13(17)11-5-1-2-6-12(11)16-9-10-4-3-7-15-8-10/h1-8,16H,9H2,(H2,14,17)
InChIKey: DWAAUQSYDGHPKE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(c(c1)C(=O)N)NCc2cccnc2
CACTVS 3.370NC(=O)c1ccccc1NCc2cccnc2
ACDLabs 12.01O=C(N)c2c(NCc1cccnc1)cccc2
Name:2-[(pyridin-3-ylmethyl)amino]benzamide
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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