BioLiP

PDB

BioLiP

PDB CCD ID:

IXB

Number of entries in BioLiP:

Chemical formula:

C17 H14 N2 O4

InChI:

InChI=1S/C17H14N2O4/c18-15(20)10-4-3-5-11(8-10)16(21)19-9-13(17(22)23)12-6-1-2-7-14(12)19/h1-8,13H,9H2,(H2,18,20)(H,22,23)/t13-/m1/s1

InChIKey:

OYXRIJPFODLVER-CYBMUJFWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)[C@@H](CN2C(=O)c3cccc(c3)C(=O)N)C(=O)O
CACTVS 3.385	NC(=O)c1cccc(c1)C(=O)N2C[CH](C(O)=O)c3ccccc23
CACTVS 3.385	NC(=O)c1cccc(c1)C(=O)N2C[C@@H](C(O)=O)c3ccccc23
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)C(CN2C(=O)c3cccc(c3)C(=O)N)C(=O)O

Name:

(3S)-1-(3-aminocarbonylphenyl)carbonyl-2,3-dihydroindole-3-carboxylic acid;
1-(3-carbamoylbenzoyl)-2,3-dihydro-1H-indole-3-carboxylic acid

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).