SEQ2FUN

BioLiP

PDB CCD ID: VGD
Number of entries in BioLiP: 6
Chemical formula: C7 H6 Cl N3
InChI: InChI=1S/C7H6ClN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11)
InChIKey: PDOCNPCPPLPXRV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Clc2cc1c(nc(n1)N)cc2
CACTVS 3.341Nc1[nH]c2cc(Cl)ccc2n1
OpenEye OEToolkits 1.5.0c1cc2c(cc1Cl)[nH]c(n2)N
Name:6-chloro-1H-benzimidazol-2-amine
ChEMBL: CHEMBL269158
ZINC: ZINC000005425419
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).