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BioLiP Library

PDB CCD ID: BFH
Number of entries in BioLiP: 2
Chemical formula: C15 H11 N O4
InChI: InChI=1S/C15H11NO4/c17-13(18)8-16-12(15(19)20)7-10-6-5-9-3-1-2-4-11(9)14(10)16/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKey: AKGLRHRNGGDMDM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc2c(c1)ccc3c2n(c(c3)C(=O)O)CC(=O)O
ACDLabs 12.01O=C(O)c3cc2c(c1ccccc1cc2)n3CC(=O)O
CACTVS 3.370OC(=O)Cn1c(cc2ccc3ccccc3c12)C(O)=O
Name:1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid
ChEMBL: CHEMBL1231307
ZINC: ZINC000058631253
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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