SEQ2FUN

BioLiP

PDB CCD ID: 6SO
Number of entries in BioLiP: 4
Chemical formula: C10 H11 Cl N2
InChI: InChI=1S/C10H11ClN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
InChIKey: FVQKQPVVCKOWLM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCCc1c[nH]c2ccc(Cl)cc12
OpenEye OEToolkits 2.0.5c1cc2c(cc1Cl)c(c[nH]2)CCN
Name:2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine
ChEMBL: CHEMBL1288716
ZINC: ZINC000000077277
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).