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BioLiP

PDB CCD ID: BC1
Number of entries in BioLiP: 2
Chemical formula: C19 H17 N3 O3
InChI: InChI=1S/C19H17N3O3/c1-22-15-8-4-2-6-13(15)19(12-20,14-7-3-5-9-16(14)22)18(25)21-11-10-17(23)24/h2-9H,10-11H2,1H3,(H,21,25)(H,23,24)
InChIKey: FRBAOMHMZCGBOJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN1c2ccccc2C(c3c1cccc3)(C#N)C(=O)NCCC(=O)O
ACDLabs 10.04O=C(O)CCNC(=O)C3(C#N)c1c(cccc1)N(c2c3cccc2)C
CACTVS 3.341CN1c2ccccc2C(C#N)(C(=O)NCCC(O)=O)c3ccccc13
Name:3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-9-YL)CARBONYL]AMINO}PROPANOIC ACID
DrugBank: DB07441
ZINC: ZINC000002047786
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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