BioLiP

PDB

BioLiP

PDB CCD ID:

SNX

Number of entries in BioLiP:

Chemical formula:

C22 H23 N3 O3

InChI:

InChI=1S/C22H23N3O3/c1-28-12-11-24-17-13-14(9-10-15(17)22(23)27)25-18-6-3-2-5-16(18)21-19(25)7-4-8-20(21)26/h2-3,5-6,9-10,13,24H,4,7-8,11-12H2,1H3,(H2,23,27)

InChIKey:

XQKFKSJUBJPOLY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	COCCNc1cc(ccc1C(=O)N)n2c3ccccc3c4c2CCCC4=O
CACTVS 3.341	COCCNc1cc(ccc1C(N)=O)n2c3CCCC(=O)c3c4ccccc24
ACDLabs 10.04	O=C(N)c1ccc(cc1NCCOC)n3c4c(c2C(=O)CCCc23)cccc4

Name:

2-[(2-methoxyethyl)amino]-4-(4-oxo-1,2,3,4-tetrahydro-9H-carbazol-9-yl)benzamide

ChEMBL:

CHEMBL410448

DrugBank:

DB08557

ZINC:

ZINC000024981153

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).