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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: R2C
Number of entries in BioLiP: 1
Chemical formula: C20 H17 N O4
InChI: InChI=1S/C20H17NO4/c1-24-17-11-12-19(18(13-17)20(22)23)21-14-7-9-16(10-8-14)25-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23)
InChIKey: YJRDHMUPONVWTE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341COc1ccc(Nc2ccc(Oc3ccccc3)cc2)c(c1)C(O)=O
ACDLabs 10.04O=C(O)c3cc(OC)ccc3Nc2ccc(Oc1ccccc1)cc2
OpenEye OEToolkits 1.5.0COc1ccc(c(c1)C(=O)O)Nc2ccc(cc2)Oc3ccccc3
Name:5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID
ZINC: ZINC000058638907

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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