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BioLiP

PDB CCD ID: NYX
Number of entries in BioLiP: 1
Chemical formula: C10 H10 Cl N3 O
InChI: InChI=1S/C10H10ClN3O/c11-4-10(15)12-5-7-1-2-9-8(3-7)6-13-14-9/h1-3,6H,4-5H2,(H,12,15)(H,13,14)
InChIKey: ISIFBXASHNTXOY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385ClCC(=O)NCc1ccc2[nH]ncc2c1
OpenEye OEToolkits 3.1.0.0c1cc2c(cc1CNC(=O)CCl)cn[nH]2
Name:2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide
ChEMBL: CHEMBL5187877
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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