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BioLiP

PDB CCD ID: 19E
Number of entries in BioLiP: 1
Chemical formula: C16 H11 Cl N2 O
InChI: InChI=1S/C16H11ClN2O/c1-8-7-18-16(17)14-13-11-4-3-10(20)6-9(11)2-5-12(13)19-15(8)14/h2-7,19-20H,1H3
InChIKey: WGZZCINOMPRGRY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0Cc1cnc(c2c1[nH]c3c2c4ccc(cc4cc3)O)Cl
CACTVS 3.370Cc1cnc(Cl)c2c1[nH]c3ccc4cc(O)ccc4c23
ACDLabs 12.01Clc4ncc(c3c4c1c(ccc2cc(O)ccc12)n3)C
Name:11-chloro-8-methyl-7H-benzo[e]pyrido[4,3-b]indol-3-ol
ZINC: ZINC000058631971
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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