BioLiP

PDB

BioLiP

PDB CCD ID:

A1BXD

Number of entries in BioLiP:

Chemical formula:

C24 H26 N4 O5 S

InChI:

InChI=1S/C24H26N4O5S/c1-16-4-3-5-17(2)22(16)28(24(30)19-10-12-34(31,32)13-11-19)14-21(29)26-20-8-6-18(7-9-20)23-25-15-33-27-23/h3-9,15,19H,10-14H2,1-2H3,(H,26,29)

InChIKey:

MNHNIVNAFBSLLX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cccc(C)c1N(CC(=O)Nc2ccc(cc2)c3nocn3)C(=O)C4CC[S](=O)(=O)CC4
ACDLabs 14.52	O=S1(=O)CCC(CC1)C(=O)N(CC(=O)Nc1ccc(cc1)c1ncon1)c1c(C)cccc1C
OpenEye OEToolkits 3.1.0.0	Cc1cccc(c1N(CC(=O)Nc2ccc(cc2)c3ncon3)C(=O)C4CCS(=O)(=O)CC4)C

Name:

Amenamevir

ChEMBL:

CHEMBL4297592

DrugBank:

DB11701

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).