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BioLiP

PDB CCD ID: VGM
Number of entries in BioLiP: 1
Chemical formula: C19 H17 N3 O3
InChI: InChI=1S/C19H17N3O3/c1-25-17-9-13(6-7-16(17)23)14-8-15(18(20)22-10-14)11-2-4-12(5-3-11)19(21)24/h2-10,23H,1H3,(H2,20,22)(H2,21,24)
InChIKey: MGGHBVJICDPMQM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352COc1cc(ccc1O)c2cnc(N)c(c2)c3ccc(cc3)C(N)=O
ACDLabs 10.04O=C(N)c1ccc(cc1)c2cc(cnc2N)c3ccc(O)c(OC)c3
OpenEye OEToolkits 1.6.1COc1cc(ccc1O)c2cc(c(nc2)N)c3ccc(cc3)C(=O)N
Name:4-[2-AMINO-5-(4-HYDROXY-3-METHOXYPHENYL)PYRIDIN-3-YL]BENZAMIDE
ChEMBL: CHEMBL600441
ZINC: ZINC000045370076
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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