BioLiP

PDB

BioLiP

PDB CCD ID:

A1I5P

Number of entries in BioLiP:

Chemical formula:

C10 H10 N2 O2

InChI:

InChI=1S/C10H10N2O2/c1-14-10(13)8-6-4-2-3-5-7(6)12-9(8)11/h2-5,12H,11H2,1H3

InChIKey:

XPOFELVXMSSKQL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COC(=O)c1c2ccccc2[nH]c1N
CACTVS 3.385	COC(=O)c1c(N)[nH]c2ccccc12

Name:

methyl 2-azanyl-1~{H}-indole-3-carboxylate

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).