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BioLiP

PDB CCD ID: NHG
Number of entries in BioLiP: 1
Chemical formula: C11 H14 N2 O
InChI: InChI=1S/C11H14N2O/c1-11-4-5-12-10(11)13-9-3-2-7(14)6-8(9)11/h2-3,6,10,12-14H,4-5H2,1H3/t10-,11+/m1/s1
InChIKey: BLEHTFVVORLVPX-MNOVXSKESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2C[C@@]12CCN[C@@H]1Nc3c2cc(cc3)O
OpenEye OEToolkits 1.7.2CC12CCNC1Nc3c2cc(cc3)O
CACTVS 3.370C[C@@]12CCN[C@@H]1Nc3ccc(O)cc23
CACTVS 3.370C[C]12CCN[CH]1Nc3ccc(O)cc23
ACDLabs 12.01Oc1cc2c(cc1)NC3NCCC23C
Name:BIS-NORESEROLINE
ZINC: ZINC000095920534
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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