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BioLiP

PDB CCD ID: NM0
Number of entries in BioLiP: 3
Chemical formula: C15 H12 Cl N3 O
InChI: InChI=1S/C15H12ClN3O/c16-12-5-3-4-11(8-12)9-15(20)18-14-10-17-13-6-1-2-7-19(13)14/h1-8,10H,9H2,(H,18,20)
InChIKey: GRCPKASYWFJZEJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1cccc(CC(=O)Nc2cnc3ccccn23)c1
ACDLabs 12.01Clc1cccc(c1)CC(=O)Nc1cnc2ccccn12
OpenEye OEToolkits 2.0.7c1ccn2c(c1)ncc2NC(=O)Cc3cccc(c3)Cl
Name:2-(3-chlorophenyl)-N-[(4R)-imidazo[1,2-a]pyridin-3-yl]acetamide
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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