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BioLiP

PDB CCD ID: LQ0
Number of entries in BioLiP: 1
Chemical formula: C16 H14 Cl N3 O
InChI: InChI=1S/C16H14ClN3O/c1-11-4-6-18-9-14(11)19-16(21)10-20-7-5-12-2-3-13(17)8-15(12)20/h2-9H,10H2,1H3,(H,19,21)
InChIKey: YPZKHKYPLKRQED-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccncc1NC(=O)Cn2ccc3ccc(Cl)cc23
OpenEye OEToolkits 2.0.7Cc1ccncc1NC(=O)Cn2ccc3c2cc(cc3)Cl
ACDLabs 12.01Cc1ccncc1NC(=O)Cn1ccc2ccc(Cl)cc21
Name:2-(6-chloro-1H-indol-1-yl)-N-(4-methylpyridin-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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