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BioLiP

PDB CCD ID: 2TT
Number of entries in BioLiP: 2
Chemical formula: C16 H14 Cl N3 O2
InChI: InChI=1S/C16H14ClN3O2/c17-13-4-2-1-3-12(13)16(22)19-11-7-8-18-14(9-11)20-15(21)10-5-6-10/h1-4,7-10H,5-6H2,(H2,18,19,20,21,22)
InChIKey: BZYFIAMMQPKLOE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1ccccc1C(=O)Nc2ccnc(NC(=O)C3CC3)c2
OpenEye OEToolkits 1.7.6c1ccc(c(c1)C(=O)Nc2ccnc(c2)NC(=O)C3CC3)Cl
ACDLabs 12.01O=C(Nc1nccc(c1)NC(=O)c2ccccc2Cl)C3CC3
Name:2-chloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide
ZINC: ZINC000098208275
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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