Ligand name: (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID
PDB ligand accession: AIC
DrugBank: DB00415
PubChem: 6249;7048611;
ChEMBL: CHEMBL174
InChI Key: AVKUERGKIZMTKX-NJBDSQKTSA-N
SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C(c3ccccc3)N)C(=O)O)C

ClassyFire chemical classification:

List of proteins that are targets for DB00415

# DrugDomain Data UniProt Accession Drug Action Affinity data
1 Q5HLN6_AIC Q5HLN6 n/a
2 Q16348_AIC Q16348 n/a Ki(nM) = 1300000.0
3 P46059_AIC P46059 n/a Ki(nM) = 1.45E7
IC50(nM) = 1.0E7
4 Q8VRK8_AIC Q8VRK8 n/a
5 P02931_AIC P02931 n/a
6 Q52VH2_AIC Q52VH2 n/a
7 P08506_AIC P08506 n/a
8 P37432_AIC P37432 n/a
9 Q02763_AIC Q02763 n/a Kd(nM) = 82000.0
10 P31224_AIC P31224 n/a