Ligand name: (2S,3R)-N~4~-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide
PDB ligand accession: 097
DrugBank: DB00786
PubChem: 119031
ChEMBL: CHEMBL279785
InChI Key: OCSMOTCMPXTDND-OUAUKWLOSA-N
SMILES: CC(C)CC(C(C(=O)NO)O)C(=O)NC(C(=O)NC)C(C)(C)C

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Alcohols and polyols

List of proteins that are targets for 097

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P03956_097	P03956	inhibitor	Ki(nM) = 0.7 IC50(nM) = 0.78
2	Q9NRE1_097	Q9NRE1	inhibitor	IC50(nM) = 10000.0
3	Q99542_097	Q99542	inhibitor
4	P08254_097	P08254	antagonist	Ki(nM) = 2.4 IC50(nM) = 4.4
5	P45452_097	P45452	inhibitor	IC50(nM) = 0.74
6	Q9NPA2_097	Q9NPA2	inhibitor	IC50(nM) = 10000.0
7	P50281_097	P50281	inhibitor	IC50(nM) = 1.8
8	P09237_097	P09237	antagonist	IC50(nM) = 4.1
9	Q9ULZ9_097	Q9ULZ9	inhibitor
10	Q9BZ11_097	Q9BZ11	n/a
11	Q9UHI8_097	Q9UHI8	n/a
12	P51511_097	P51511	inhibitor	IC50(nM) = 10000.0
13	P14780_097	P14780	inhibitor	Ki(nM) = 1.0 IC50(nM) = 0.79
14	P08253_097	P08253	inhibitor	Ki(nM) = 0.6 IC50(nM) = 0.41
15	P51512_097	P51512	inhibitor	IC50(nM) = 10000.0
16	P24347_097	P24347	antagonist
17	P39900_097	P39900	inhibitor	IC50(nM) = 5.0
18	P09238_097	P09238	antagonist	IC50(nM) = 69.0
19	Q9H239_097	Q9H239	inhibitor
20	O60882_097	O60882	inhibitor	IC50(nM) = 10000.0
21	Q9UNA0_097	Q9UNA0	n/a	IC50(nM) = 10000.0
22	O75900_097	O75900	inhibitor
23	Q9Y5R2_097	Q9Y5R2	inhibitor	IC50(nM) = 10000.0
24	Q8N119_097	Q8N119	inhibitor
25	Q9H306_097	Q9H306	inhibitor
26	P22894_097	P22894	inhibitor	IC50(nM) = 0.47