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BioLiP

PDB CCD ID: SSF
Number of entries in BioLiP: 0
Chemical formula: C18 H16 N2 O4
InChI: InChI=1S/C18H16N2O4/c1-10-15(20-8-4-3-5-14(20)17(10)24-2)16(21)11-6-7-13(19)12(9-11)18(22)23/h3-9H,19H2,1-2H3,(H,22,23)
InChIKey: SNMCWIDCSPHZRD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2Cc1c(c2ccccn2c1C(=O)c3ccc(c(c3)C(=O)O)N)OC
ACDLabs 12.01O=C(O)c1c(N)ccc(c1)C(=O)c2c(c(OC)c3ccccn23)C
CACTVS 3.370COc1c(C)c(n2ccccc12)C(=O)c3ccc(N)c(c3)C(O)=O
Name:2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoic acid
ChEMBL: CHEMBL4303459
ZINC: ZINC000003818388
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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