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BioLiP Library

PDB CCD ID: 6OJ
Number of entries in BioLiP: 2
Chemical formula: C12 H10 Cl2 N2 O
InChI: InChI=1S/C12H10Cl2N2O/c1-16-10-6(2-3-8(13)9(10)14)7-4-5-15-12(17)11(7)16/h2-3H,4-5H2,1H3,(H,15,17)
InChIKey: MYIBLDZPAOEFTB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NCC3
CACTVS 3.385Cn1c2C(=O)NCCc2c3ccc(Cl)c(Cl)c13
ACDLabs 12.01Clc1ccc2c(c1Cl)n(c3c2CCNC3=O)C
Name:7,8-bis(chloranyl)-9-methyl-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one;
Dihydro-Bauerine C
ZINC: ZINC000028540147
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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