Ligand

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Ligand Name:   3-(dimethyl-lambda~4~-sulfanyl)propanoic acid
HET ID:   DQY PubChem:   416901
DrugBank:   - ChEMBL:   -
Canonical SMILES:   C[S](CCC(=O)O)C
Standard InChI:   InChI=1S/C5H11O2S/c1-8(2)4-3-5(6)7/h3-4H2,1-2H3,(H,6,7)
Molecular Formula:   C5H11O2S Mol. Weight:   135.20464 Heavy Atoms:   8
Charge:   0 Is Chiral:   False logP:   0.9896
HBD:   1 HBA:   2 TPSA:   62.6
#Bonds:   7 #Rotatable Bonds:   3 Shape Complexity:   0.8
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Dimethylsulfonioproprionate lyase DddQ D0CY60 (DDDQ_RUELI) Ruegeria lacuscaerulensis 5JSP
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SHOW
Choline-binding protein Q45462 (OPUBC_BACSU) Bacillus subtilis 6EYH
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SHOW
Novel protein with potential Cupin domain Q4FNM4 (Q4FNM4_PELUB) Pelagibacter ubique 6A55
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SHOW
Dimethylsulfonioproprionate lyase DddQ D0CY60 (DDDQ_RUELI) Ruegeria lacuscaerulensis 4LA3
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SHOW