SEQ2FUN

BioLiP

PDB CCD ID: 18E
Number of entries in BioLiP: 1
Chemical formula: C16 H11 Cl N2 O
InChI: InChI=1S/C16H11ClN2O/c1-8-7-18-16(17)13-12-4-2-9-6-10(20)3-5-11(9)15(12)19-14(8)13/h2-7,19-20H,1H3
InChIKey: YHLDLIFRSUMEPD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0Cc1cnc(c2c1[nH]c3c2ccc4c3ccc(c4)O)Cl
CACTVS 3.370Cc1cnc(Cl)c2c1[nH]c3c4ccc(O)cc4ccc23
ACDLabs 12.01Clc4ncc(c3c4c2c(c1ccc(O)cc1cc2)n3)C
Name:7-chloro-10-methyl-11H-benzo[g]pyrido[4,3-b]indol-3-ol
ZINC: ZINC000058638390
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).