Ligand

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Ligand Name:   PHOSPHOCHOLINE
HET ID:   PC PubChem:   1014
DrugBank:   DB03945 ChEMBL:   CHEMBL1235161
Canonical SMILES:   OP(=O)(OCC[N+](C)(C)C)O
Standard InChI:   InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1
Molecular Formula:   C5H15NO4P+ Mol. Weight:   184.15067 Heavy Atoms:   11
Charge:   1 Is Chiral:   False logP:   -0.1981
HBD:   2 HBA:   4 TPSA:   76.57
#Bonds:   10 #Rotatable Bonds:   4 Shape Complexity:   1.0
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
LN01 light chain None () Homo sapiens 6SND
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SHOW
pH 6 antigen P31522 (PSAA_YERPE) Yersinia pestis 4F8N
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SHOW
Choline kinase alpha P35790 (CHKA_HUMAN) Homo sapiens 2CKQ
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SHOW
Ig heavy chain V region M603 P01789 (HVM20_MOUSE) Mus musculus 2MCP
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SHOW
LN01 heavy chain None () Homo sapiens 6SNE
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SHOW
Envelope glycoprotein gp160 None () Human immunodeficiency virus type 1 group M subtype B 6SNC
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SHOW
Acid sphingomyelinase-like phosphodiesterase 3b P58242 (ASM3B_MOUSE) Mus musculus 5KAS
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SHOW