BioLiP

PDB

BioLiP

PDB CCD ID:

BFH

Number of entries in BioLiP:

Chemical formula:

C15 H11 N O4

InChI:

InChI=1S/C15H11NO4/c17-13(18)8-16-12(15(19)20)7-10-6-5-9-3-1-2-4-11(9)14(10)16/h1-7H,8H2,(H,17,18)(H,19,20)

InChIKey:

AKGLRHRNGGDMDM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1ccc2c(c1)ccc3c2n(c(c3)C(=O)O)CC(=O)O
ACDLabs 12.01	O=C(O)c3cc2c(c1ccccc1cc2)n3CC(=O)O
CACTVS 3.370	OC(=O)Cn1c(cc2ccc3ccccc3c12)C(O)=O

Name:

1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid

ChEMBL:

CHEMBL1231307

ZINC:

ZINC000058631253

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).