BioLiP

PDB

BioLiP

PDB CCD ID:

19E

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.7.0	Cc1cnc(c2c1[nH]c3c2c4ccc(cc4cc3)O)Cl
CACTVS 3.370	Cc1cnc(Cl)c2c1[nH]c3ccc4cc(O)ccc4c23
ACDLabs 12.01	Clc4ncc(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, 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).