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BioLiP

PDB CCD ID: RVF
Number of entries in BioLiP: 1
Chemical formula: C18 H14 N4 O4
InChI: InChI=1S/C18H14N4O4/c23-16(9-5-6-13-14(7-9)22-18(26)21-13)19-8-11-10-3-1-2-4-12(10)20-15(11)17(24)25/h1-7,20H,8H2,(H,19,23)(H,24,25)(H2,21,22,26)
InChIKey: XGVGMKBKRWQGTN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c(c([nH]2)C(=O)O)CNC(=O)c3ccc4c(c3)nc([nH]4)O
CACTVS 3.385OC(=O)c1[nH]c2ccccc2c1CNC(=O)c3ccc4[nH]c(O)nc4c3
ACDLabs 12.01O=C(O)c1[NH]c2ccccc2c1CNC(=O)c1cc2nc(O)[NH]c2cc1
Name:3-{[(2-hydroxy-1H-benzimidazole-5-carbonyl)amino]methyl}-1H-indole-2-carboxylic acid
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).
  • 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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