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BioLiP

PDB CCD ID: CN9
Number of entries in BioLiP: 2
Chemical formula: C12 H10 N2
InChI: InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3
InChIKey: PSFDQSOCUJVVGF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c2c(ccn1)c3ccccc3[nH]2
ACDLabs 12.01Cc1nccc2c3ccccc3[NH]c21
CACTVS 3.385Cc1nccc2c1[nH]c3ccccc23
Name:1-methyl-9H-pyrido[3,4-b]indole;
harmane
ChEMBL: CHEMBL12014
ZINC: ZINC000006069162
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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