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BioLiP Library

PDB CCD ID: BY4
Number of entries in BioLiP: 1
Chemical formula: C9 H10 N2 O
InChI: InChI=1S/C9H10N2O/c1-5-3-2-4-6-7(5)8(10)9(12)11-6/h2-4,8H,10H2,1H3,(H,11,12)/t8-/m1/s1
InChIKey: DXMQUOQQGLIRSR-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cccc2NC(=O)[CH](N)c12
OpenEye OEToolkits 1.7.6Cc1cccc2c1[C@H](C(=O)N2)N
CACTVS 3.385Cc1cccc2NC(=O)[C@H](N)c12
OpenEye OEToolkits 1.7.6Cc1cccc2c1C(C(=O)N2)N
Name:(3R)-3-azanyl-4-methyl-1,3-dihydroindol-2-one
ZINC: ZINC000100287409
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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