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BioLiP

PDB CCD ID: 2XO
Number of entries in BioLiP: 10
Chemical formula: C8 H8 N2 S
InChI: InChI=1S/C8H8N2S/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4,11H,5H2,(H,9,10)
InChIKey: XGIDEUICZZXBFQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)[nH]c(n2)CS
CACTVS 3.385SCc1[nH]c2ccccc2n1
ACDLabs 12.01n2c1ccccc1nc2CS
Name:1H-benzimidazol-2-ylmethanethiol
ChEMBL: CHEMBL2358377
ZINC: ZINC000000127800
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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