SEQ2FUN

BioLiP

PDB CCD ID: 4G2
Number of entries in BioLiP: 1
Chemical formula: C11 H9 Cl N2 O2
InChI: InChI=1S/C11H9ClN2O2/c1-6-9(11(15)16)14-10(13-6)7-3-2-4-8(12)5-7/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKey: AZJGRTCDZBQXFC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Clc1cccc(c1)c2nc(c(n2)C)C(=O)O
OpenEye OEToolkits 1.6.1Cc1c(nc([nH]1)c2cccc(c2)Cl)C(=O)O
CACTVS 3.352Cc1[nH]c(nc1C(O)=O)c2cccc(Cl)c2
Name:2-(3-CHLORO-PHENYL)-5-METHYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID
ChEMBL: CHEMBL1230284
ZINC: ZINC000041272047
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).