SEQ2FUN

BioLiP

PDB CCD ID: JA2
Number of entries in BioLiP: 2
Chemical formula: C12 H17 N3
InChI: InChI=1S/C12H17N3/c13-9-5-1-2-8-12-14-10-6-3-4-7-11(10)15-12/h3-4,6-7H,1-2,5,8-9,13H2,(H,14,15)
InChIKey: XTJRXHPNZGDOGE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)[nH]c(n2)CCCCCN
ACDLabs 12.01n2c1ccccc1nc2CCCCCN
CACTVS 3.385NCCCCCc1[nH]c2ccccc2n1
Name:5-(1H-benzimidazol-2-yl)pentan-1-amine
ChEMBL: CHEMBL468994
ZINC: ZINC000002568410
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).