SEQ2FUN

BioLiP

PDB CCD ID: 7V3
Number of entries in BioLiP: 5
Chemical formula: C13 H12 Cl N
InChI: InChI=1S/C13H12ClN/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13H,15H2/t13-/m0/s1
InChIKey: XAFODXGEQUOEKN-ZDUSSCGKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)[C@@H](c2ccc(cc2)Cl)N
CACTVS 3.385N[CH](c1ccccc1)c2ccc(Cl)cc2
CACTVS 3.385N[C@@H](c1ccccc1)c2ccc(Cl)cc2
OpenEye OEToolkits 2.0.6c1ccc(cc1)C(c2ccc(cc2)Cl)N
Name:(S)-(4-chlorophenyl)-phenyl-methanamine
ZINC: ZINC000000155169
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).