SEQ2FUN

BioLiP

PDB CCD ID: 02W
Number of entries in BioLiP: 0
Chemical formula: C10 H13 N3
InChI: InChI=1S/C10H13N3/c1-8-12-9-4-2-3-5-10(9)13(8)7-6-11/h2-5H,6-7,11H2,1H3
InChIKey: UREWYRDRWNMMAZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n2c1ccccc1n(c2C)CCN
CACTVS 3.370
OpenEye OEToolkits 1.7.2		Cc1nc2ccccc2n1CCN
Name:2-(2-methyl-1H-benzimidazol-1-yl)ethanamine
ZINC: ZINC000003888453
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).