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BioLiP Library

PDB CCD ID: 6M1
Number of entries in BioLiP: 4
Chemical formula: C8 H9 N O2
InChI: InChI=1S/C8H9NO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,9H2,1H3,(H,10,11)
InChIKey: XHYVBIXKORFHFM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cccc(c1C(=O)O)N
CACTVS 3.385Cc1cccc(N)c1C(O)=O
ACDLabs 12.01O=C(O)c1c(cccc1N)C
Name:2-amino-6-methylbenzoic acid
ZINC: ZINC000000164443
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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