SEQ2FUN

BioLiP

PDB CCD ID: BIK
Number of entries in BioLiP: 2
Chemical formula: C11 H8 O4
InChI: InChI=1S/C11H8O4/c12-8-2-1-6-5-10(13)9(11(14)15)4-7(6)3-8/h1-5,12-13H,(H,14,15)
InChIKey: QMWOUSYSNFCKAZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)c1cc2cc(O)ccc2cc1O
ACDLabs 10.04O=C(O)c2cc1c(ccc(O)c1)cc2O
OpenEye OEToolkits 1.5.0c1cc(cc2c1cc(c(c2)C(=O)O)O)O
Name:3,7-DIHYDROXY-2-NAPHTHOIC ACID;
3,7-DIHYDROXYNAPHTHALENE-2-CARBOXYLIC ACID
ChEMBL: CHEMBL1231350
DrugBank: DB04641
ZINC: ZINC000000156898
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).