SEQ2FUN

BioLiP

PDB CCD ID: 492
Number of entries in BioLiP: 1
Chemical formula: C9 H9 N S2
InChI: InChI=1S/C9H9NS2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-5H,6,10H2
InChIKey: FHYTVXBZSXZMGD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NCc1sc(cc1)c2sccc2
ACDLabs 10.04s2c(c1sc(cc1)CN)ccc2
OpenEye OEToolkits 1.5.0c1cc(sc1)c2ccc(s2)CN
Name:1-(2,2'-bithiophen-5-yl)methanamine;
(5-thiophen-2-ylthiophen-2-yl)methylamine
ChEMBL: CHEMBL538940
DrugBank: DB07094
ZINC: ZINC000000158800
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).