BioLiP

PDB

BioLiP

PDB CCD ID:

E1V

Number of entries in BioLiP:

Chemical formula:

C23 H26 N2 O2

InChI:

InChI=1S/C23H26N2O2/c1-2-27-23(26)22-15-20-14-19(18-10-12-24-13-11-18)8-9-21(20)25(22)16-17-6-4-3-5-7-17/h8-15,17H,2-7,16H2,1H3

InChIKey:

NNPMKHYWTMMCKN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CCOC(=O)c1cc2cc(ccc2n1CC3CCCCC3)c4ccncc4

Name:

ethyl 1-(cyclohexylmethyl)-5-pyridin-4-yl-indole-2-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).