SEQ2FUN

BioLiP

PDB CCD ID: 8QG
Number of entries in BioLiP: 1
Chemical formula: C7 H5 Cl N2 S
InChI: InChI=1S/C7H5ClN2S/c8-7-2-1-6(11-7)5-3-9-10-4-5/h1-4H,(H,9,10)
InChIKey: FSGXXIOYDLGFFB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1sc(cc1)c2c[nH]nc2
OpenEye OEToolkits 2.0.6c1cc(sc1c2c[nH]nc2)Cl
ACDLabs 12.01c1nncc1c2ccc(Cl)s2
Name:4-(5-chlorothiophen-2-yl)-1H-pyrazole
ZINC: ZINC000000480671
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).