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BioLiP

PDB CCD ID: GA0
Number of entries in BioLiP: 1
Chemical formula: C20 H24 N4 O3
InChI: InChI=1S/C20H24N4O3/c1-13(22-18(25)12-21)20(27)24-10-4-7-17(24)19(26)23-16-9-8-14-5-2-3-6-15(14)11-16/h2-3,5-6,8-9,11,13,17H,4,7,10,12,21H2,1H3,(H,22,25)(H,23,26)/t13-,17-/m0/s1
InChIKey: KCELZXZDIUJGNM-GUYCJALGSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[CH](NC(=O)CN)C(=O)N1CCC[CH]1C(=O)Nc2ccc3ccccc3c2
OpenEye OEToolkits 1.5.0C[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc2ccc3ccccc3c2)NC(=O)CN
OpenEye OEToolkits 1.5.0CC(C(=O)N1CCCC1C(=O)Nc2ccc3ccccc3c2)NC(=O)CN
CACTVS 3.341C[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)Nc2ccc3ccccc3c2
ACDLabs 10.04O=C(Nc2cc1ccccc1cc2)C3N(C(=O)C(NC(=O)CN)C)CCC3
Name:GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE;
GLYCYL-ALANYL-PROLINE-BETA-NAPHTHYLAMIDE
DrugBank: DB07813
ZINC: ZINC000053683227
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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