SEQ2FUN

BioLiP

PDB CCD ID: KBU
Number of entries in BioLiP: 7
Chemical formula: C7 H5 Cl N2
InChI: InChI=1S/C7H5ClN2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H,(H,9,10)
InChIKey: RPYPMOKNVPZWKZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(c(c1)Cl)nc[nH]2
ACDLabs 12.01Clc1cccc2[NH]cnc21
CACTVS 3.385Clc1cccc2[nH]cnc12
Name:4-chloro-1H-benzimidazole
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).