SEQ2FUN

BioLiP

PDB CCD ID: XZZ
Number of entries in BioLiP: 2
Chemical formula: C10 H7 Cl O3
InChI: InChI=1S/C10H7ClO3/c1-5-2-10(13)14-9-4-8(12)7(11)3-6(5)9/h2-4,12H,1H3
InChIKey: JTXAGHXRIBLWES-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC1=CC(=O)Oc2c1cc(c(c2)O)Cl
CACTVS 3.385CC1=CC(=O)Oc2cc(O)c(Cl)cc12
ACDLabs 12.01Clc2c(O)cc1OC(=O)C=C(c1c2)C
Name:6-chloro-7-hydroxy-4-methyl-2H-chromen-2-one
ChEMBL: CHEMBL2205240
ZINC: ZINC000000057901
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).