SEQ2FUN

BioLiP

PDB CCD ID: UOR
Number of entries in BioLiP: 1
Chemical formula: C11 H8 Cl N O2
InChI: InChI=1S/C11H8ClNO2/c12-10-4-3-8(7-9(10)11(14)15)13-5-1-2-6-13/h1-7H,(H,14,15)
InChIKey: HPAOLHCBQKYITR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccn(c1)c2ccc(c(c2)C(=O)O)Cl
CACTVS 3.385OC(=O)c1cc(ccc1Cl)n2cccc2
ACDLabs 12.01O=C(O)c1cc(ccc1Cl)n1cccc1
Name:2-chloro-5-(1H-pyrrol-1-yl)benzoic acid
ChEMBL: CHEMBL405828
ZINC: ZINC000000253709
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).