SEQ2FUN

BioLiP

PDB CCD ID: PWX
Number of entries in BioLiP: 1
Chemical formula: C8 H8 Cl N3
InChI: InChI=1S/C8H8ClN3/c1-12-7-5(9)3-2-4-6(7)11-8(12)10/h2-4H,1H3,(H2,10,11)
InChIKey: SXLPXHZFEJYXBB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cn1c2c(cccc2Cl)nc1N
ACDLabs 12.01Clc1cccc2nc(N)n(C)c12
CACTVS 3.385Cn1c(N)nc2cccc(Cl)c12
Name:7-chloro-1-methyl-1H-benzimidazol-2-amine
ChEMBL: CHEMBL5197731
ZINC: ZINC000036899015
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).