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BioLiP

PDB CCD ID: JMA
Number of entries in BioLiP: 1
Chemical formula: C11 H12 Cl2 N2 O
InChI: InChI=1S/C11H12Cl2N2O/c12-8-5-10-11(6-9(8)13)15(7-14-10)3-1-2-4-16/h5-7,16H,1-4H2
InChIKey: FITCEBBVLDFPRJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCCCCn1cnc2cc(Cl)c(Cl)cc12
ACDLabs 12.01c1c(c(Cl)cc2n(CCCCO)cnc12)Cl
OpenEye OEToolkits 2.0.6c1c2c(cc(c1Cl)Cl)n(cn2)CCCCO
Name:4-(5,6-dichloro-1H-benzimidazol-1-yl)butan-1-ol
ZINC: ZINC000004339088
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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