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BioLiP

PDB CCD ID: Q8G
Number of entries in BioLiP: 2
Chemical formula: C14 H16 N2 O2
InChI: InChI=1S/C14H16N2O2/c17-14(18)10-6-7-13-12(8-10)15-9-16(13)11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,17,18)
InChIKey: VDTQDVBTYFQIPB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(cc1C(=O)O)ncn2C3CCCCC3
CACTVS 3.385OC(=O)c1ccc2n(cnc2c1)C3CCCCC3
ACDLabs 12.01c12ncn(c1ccc(C(O)=O)c2)C3CCCCC3
Name:1-cyclohexyl-1H-benzimidazole-5-carboxylic acid
ChEMBL: CHEMBL177122
ZINC: ZINC000004638824
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)(download the PDF file).
  • 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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