SEQ2FUN

BioLiP

PDB CCD ID: MBL
Number of entries in BioLiP: 8
Chemical formula: C14 H19 N3
InChI: InChI=1S/C14H19N3/c1-2-3-7-10-17-11-13(16-14(17)15)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H2,15,16)
InChIKey: NTJHSIKKNQRLPN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.9.2		CCCCCn1cc(nc1N)c2ccccc2
Name:1-pentyl-4-phenyl-imidazol-2-amine
ChEMBL: CHEMBL4803538
ZINC: ZINC000584905619
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).