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BioLiP

PDB CCD ID: A1ACR
Number of entries in BioLiP: 15
Chemical formula: C13 H9 Cl2 N3 O
InChI: InChI=1S/C13H9Cl2N3O/c14-9-6-16-12(15)5-11(9)17-8-1-2-10-7(3-8)4-13(19)18-10/h1-3,5-6H,4H2,(H,16,17)(H,18,19)
InChIKey: RHZXOSKCWDIAFP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(cc1Nc3cc(ncc3Cl)Cl)CC(=O)N2
CACTVS 3.385Clc1cc(Nc2ccc3NC(=O)Cc3c2)c(Cl)cn1
ACDLabs 12.01Clc1cc(Nc2cc3CC(=O)Nc3cc2)c(Cl)cn1
Name:5-[(2,5-dichloropyridin-4-yl)amino]-1,3-dihydro-2H-indol-2-one
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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