数据链接：
官方服务：
资源简介：
PLS results of CoMFA and CoMSIA models.
应用场景：
创建时间：
2015-12-02
相关数据集
Grb7-SH2 with bicyclic peptide inhibitor
Grb7-SH2 with bicyclic peptide inhibitor Descriptor: CHLORIDE ION, Growth factor receptor-bound protein 7, LYS-PHE-GLU-GLY-TYR-ASP-ASN-GLU-CST Authors: Watson, G.M, Wilce, M.C.J, Wilce, J.A. Deposit d
Protein Data Bank Japan2025-04-02 更新90
KRASG12C GDP form in complex with Cpd2
KRASG12C GDP form in complex with Cpd2 Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... Authors: Mathieu, M, Steier, V. Deposit date: 2020-08-14 Release date: 2021-10-13 Last modi
Protein Data Bank Japan2024-10-23 更新70
BindingDB Entry 50033461: Design, synthesis and insulin-sensitizing activity of indomethacin and diclofenac derivatives.
Small molecule binding data for protein Peroxisome proliferator-activated receptor, Uniprot P37231
DataCite Commons2026-03-21 更新30
GuacaMol Test SMILES
Test partition of dataset for the GuacaMol de novo design benchmarks. This is a subset of molecules extracted from ChEMBL 24. For more information see https://www.ebi.ac.uk/chembl/
Figshare2018-11-20 更新80
CRYSTAL STRUCTURES OF RECOMBINANT RAT CATHEPSIN B AND A CATHEPSIN B-INHIBITOR COMPLEX: IMPLICATIONS FOR STRUCTURE-BASED INHIBITOR DESIGN
CRYSTAL STRUCTURES OF RECOMBINANT RAT CATHEPSIN B AND A CATHEPSIN B-INHIBITOR COMPLEX: IMPLICATIONS FOR STRUCTURE-BASED INHIBITOR DESIGN Descriptor: 2-PYRIDINETHIOL, CATHEPSIN B Authors: Huber, C.P, J
Protein Data Bank Japan2024-10-23 更新50
