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BioLiP

PDB CCD ID: JRT
Number of entries in BioLiP: 1
Chemical formula: C17 H17 N3 O
InChI: InChI=1S/C17H17N3O/c21-17(18-11-10-14-6-2-1-3-7-14)12-20-13-19-15-8-4-5-9-16(15)20/h1-9,13H,10-12H2,(H,18,21)
InChIKey: CAHHWKPTYNNMOV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCNC(=O)Cn2cnc3c2cccc3
CACTVS 3.385O=C(Cn1cnc2ccccc12)NCCc3ccccc3
Name:2-(benzimidazol-1-yl)-~{N}-(2-phenylethyl)ethanamide
ZINC: ZINC000000107144
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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