SEQ2FUN

BioLiP

PDB CCD ID: 80G
Number of entries in BioLiP: 1
Chemical formula: C11 H11 N S
InChI: InChI=1S/C11H11NS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7H,8,12H2
InChIKey: YKNLMMDEWQZCLJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04s2c(c1ccc(cc1)CN)ccc2
OpenEye OEToolkits 1.5.0c1cc(sc1)c2ccc(cc2)CN
CACTVS 3.341NCc1ccc(cc1)c2sccc2
Name:1-(4-thiophen-2-ylphenyl)methanamine
ChEMBL: CHEMBL539640
DrugBank: DB07259
ZINC: ZINC000000158702
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).