SEQ2FUN

BioLiP

PDB CCD ID: UQL
Number of entries in BioLiP: 1
Chemical formula: C13 H17 Cl N2
InChI: InChI=1S/C13H17ClN2/c1-9-11(6-7-16(2)3)12-8-10(14)4-5-13(12)15-9/h4-5,8,15H,6-7H2,1-3H3
InChIKey: KSYMELKKLOFABL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c(c2cc(ccc2[nH]1)Cl)CCN(C)C
CACTVS 3.385CN(C)CCc1c(C)[nH]c2ccc(Cl)cc12
Name:2-(5-chloranyl-2-methyl-1~{H}-indol-3-yl)-N,N-dimethyl-ethanamine;
ST1936
ChEMBL: CHEMBL365751
ZINC: ZINC000028526198
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).