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BioLiP

PDB CCD ID: 95E
Number of entries in BioLiP: 6
Chemical formula: C10 H24 N2 O2
InChI: InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKey: AEUTYOVWOVBAKS-UWVGGRQHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCC(CO)NCCNC(CC)CO
CACTVS 3.385CC[CH](CO)NCCN[CH](CC)CO
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CC[C@@H](CO)NCCN[C@@H](CC)CO
Name:Ethambutol
ChEMBL: CHEMBL44884
DrugBank: DB00330
ZINC: ZINC000019364219
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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