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BioLiP

PDB CCD ID: 4IJ
Number of entries in BioLiP: 1
Chemical formula: C14 H11 Cl N2 O2
InChI: InChI=1S/C14H11ClN2O2/c15-9-6-10(8-16-7-9)19-14(18)12-2-1-3-13-11(12)4-5-17-13/h1-3,6-8,17H,4-5H2
InChIKey: JROSKNTUYSPHGX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1cncc(OC(=O)c2cccc3NCCc23)c1
OpenEye OEToolkits 2.0.7c1cc(c2c(c1)NCC2)C(=O)Oc3cc(cnc3)Cl
ACDLabs 12.01Clc1cc(cnc1)OC(=O)c1cccc2NCCc12
Name:5-chloropyridin-3-yl 2,3-dihydro-1H-indole-4-carboxylate
ChEMBL: CHEMBL4874639
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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