SEQ2FUN

BioLiP

PDB CCD ID: 270
Number of entries in BioLiP: 6
Chemical formula: C7 H7 N3
InChI: InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4,7H,8H2
InChIKey: DERVZEOWPBCBHO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=CC2=NC(N=C2C=C1)N
ACDLabs 10.04N1=C2C=CC=CC2=NC1N
CACTVS 3.341NC1N=C2C=CC=CC2=N1
Name:2H-BENZOIMIDAZOL-2-YLAMINE;
ZK-800270
DrugBank: DB01665
ZINC: ZINC000034919930
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).