SEQ2FUN

BioLiP

PDB CCD ID: WOV
Number of entries in BioLiP: 1
Chemical formula: C13 H13 N O3
InChI: InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)12-6-5-10(15)7-11(12)13(16)17/h3-7,15H,1-2H3,(H,16,17)
InChIKey: BTNJQFIFTBDRAH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc(n1c2ccc(cc2C(=O)O)O)C
ACDLabs 12.01c1(C)ccc(n1c2ccc(cc2C(O)=O)O)C
CACTVS 3.385Cc1ccc(C)n1c2ccc(O)cc2C(O)=O
Name:2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-hydroxybenzoic acid
ChEMBL: CHEMBL1765360
ZINC: ZINC000000244514
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).