SEQ2FUN

BioLiP

PDB CCD ID: EZN
Number of entries in BioLiP: 1
Chemical formula: C15 H13 Cl N2
InChI: InChI=1S/C15H13ClN2/c16-12-7-10(9-17)6-11(8-12)13-2-1-3-15-14(13)4-5-18-15/h1-8,18H,9,17H2
InChIKey: MTQLCOHSTAREMM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(c2cc[nH]c2c1)c3cc(cc(c3)Cl)CN
CACTVS 3.385NCc1cc(Cl)cc(c1)c2cccc3[nH]ccc23
Name:[3-chloranyl-5-(1~{H}-indol-4-yl)phenyl]methanamine
ChEMBL: CHEMBL4227516
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).