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BioLiP Library

PDB CCD ID: QQG
Number of entries in BioLiP: 1
Chemical formula: C21 H25 N3 O2
InChI: InChI=1S/C21H25N3O2/c1-23-15-21(18-4-2-3-5-19(18)23)10-12-24(13-11-21)14-16-6-8-17(9-7-16)20(25)22-26/h2-9,26H,10-15H2,1H3,(H,22,25)
InChIKey: KRAFQDJIYXJLQM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C4C1(c2c(N(C1)C)cccc2)CCN(Cc3ccc(cc3)C(NO)=O)C4
CACTVS 3.385CN1CC2(CCN(CC2)Cc3ccc(cc3)C(=O)NO)c4ccccc14
OpenEye OEToolkits 2.0.7CN1CC2(CCN(CC2)Cc3ccc(cc3)C(=O)NO)c4c1cccc4
Name:N-hydroxy-4-[(1-methyl-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)methyl]benzamide
ChEMBL: CHEMBL4790744
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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