SEQ2FUN

BioLiP

PDB CCD ID: YXH
Number of entries in BioLiP: 2
Chemical formula: C8 H9 N3
InChI: InChI=1S/C8H9N3/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5,9H2,(H,10,11)
InChIKey: UCOSRTUSVXHIMK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)[nH]c(n2)CN
CACTVS 3.385NCc1[nH]c2ccccc2n1
ACDLabs 12.01NCc1nc2ccccc2[NH]1
Name:1-(1H-benzimidazol-2-yl)methanamine
ChEMBL: CHEMBL303714
ZINC: ZINC000000119677
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).