SEQ2FUN

BioLiP

PDB CCD ID: E82
Number of entries in BioLiP: 1
Chemical formula: C24 H24 N2 O
InChI: InChI=1S/C24H24N2O/c25-16-17-6-3-9-19(14-17)20-10-4-11-21(15-20)24(27)26-23-13-5-8-18-7-1-2-12-22(18)23/h1-4,6-7,9-12,14-15,23H,5,8,13,16,25H2,(H,26,27)/t23-/m0/s1
InChIKey: ONRUCWPTBOHFGA-QHCPKHFHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCc1cccc(c1)c2cccc(c2)C(=O)N[C@H]3CCCc4ccccc34
OpenEye OEToolkits 2.0.6c1ccc2c(c1)CCC[C@@H]2NC(=O)c3cccc(c3)c4cccc(c4)CN
CACTVS 3.385NCc1cccc(c1)c2cccc(c2)C(=O)N[CH]3CCCc4ccccc34
OpenEye OEToolkits 2.0.6c1ccc2c(c1)CCCC2NC(=O)c3cccc(c3)c4cccc(c4)CN
Name:3-[3-(aminomethyl)phenyl]-~{N}-[(1~{S})-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
ChEMBL: CHEMBL4161639
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).