2025-08-09_00000299|ligand|9HT0

A novel bottom-up approach to find lead-compounds in billion-sized libraries; X-ray diffraction 1.33Å
Protein #1 127 residues (100% resolved)

SMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE

SMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
Non polymer #2 A1IXD

InChI=1S/C24H21N7O2/c1-25-23(32)16-8-10-17(11-9-16)31-22(27-21(28-31)15-30-13-5-12-26-30)20-14-29(2)24(33)19-7-4-3-6-18(19)20/h3-14H,15H2,1-2H3,(H,25,32)

CNC(=O)c1ccc(cc1)n2c(nc(n2)Cn3cccn3)C4=CN(C(=O)c5c4cccc5)C
Download coordinates
Reference