SEQ2FUN

BioLiP

PDB CCD ID: VWJ
Number of entries in BioLiP: 4
Chemical formula: C10 H13 N3
InChI: InChI=1S/C10H13N3/c1-7(2)11-10-12-8-5-3-4-6-9(8)13-10/h3-7H,1-2H3,(H2,11,12,13)
InChIKey: KRNAPWQWOXYDPY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(C)Nc1[nH]c2ccccc2n1
ACDLabs 12.01N(c1nc2c(n1)cccc2)C(C)C
Name:N-(propan-2-yl)-1H-benzimidazol-2-amine
ZINC: ZINC000008701455
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).