SEQ2FUN

BioLiP

PDB CCD ID: AX8
Number of entries in BioLiP: 6
Chemical formula: C14 H11 Cl2 N3
InChI: InChI=1S/C14H11Cl2N3/c15-10-6-5-9(7-11(10)16)8-19-13-4-2-1-3-12(13)18-14(19)17/h1-7H,8H2,(H2,17,18)
InChIKey: JBNABAJVIVYIDA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Clc1ccc(cc1Cl)Cn2c3ccccc3nc2N
CACTVS 3.341Nc1nc2ccccc2n1Cc3ccc(Cl)c(Cl)c3
OpenEye OEToolkits 1.5.0c1ccc2c(c1)nc(n2Cc3ccc(c(c3)Cl)Cl)N
Name:1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-amine
ChEMBL: CHEMBL520667
ZINC: ZINC000000461252
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).