SEQ2FUN

BioLiP

PDB CCD ID: PQK
Number of entries in BioLiP: 1
Chemical formula: C10 H13 N O2
InChI: InChI=1S/C10H13NO2/c1-6-5-9(10(12)13)7(2)11(6)8-3-4-8/h5,8H,3-4H2,1-2H3,(H,12,13)
InChIKey: VOOZJPFNBFNPEK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(c(n1C2CC2)C)C(=O)O
CACTVS 3.385Cc1cc(C(O)=O)c(C)n1C2CC2
Name:1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid
ChEMBL: CHEMBL1577069
ZINC: ZINC000000159030

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).