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BioLiP Library

PDB CCD ID: BMK
Number of entries in BioLiP: 6
Chemical formula: C16 H15 N
InChI: InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1
InChIKey: LBOJYSIDWZQNJS-CVEARBPZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C[C@@]12c3ccccc3C[C@@H](N1)c4c2cccc4
ACDLabs 12.01CC23c1c(cccc1)CC(N2)c4ccccc34
OpenEye OEToolkits 2.0.6CC12c3ccccc3CC(N1)c4c2cccc4
CACTVS 3.385C[C]12N[CH](Cc3ccccc13)c4ccccc24
CACTVS 3.385C[C@]12N[C@H](Cc3ccccc13)c4ccccc24
Name:(5S,10R)-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene
ChEMBL: CHEMBL284237
ZINC: ZINC000025757829
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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