Ligand

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Ligand Name:   4-{[(Z)-(5-OXO-2-PHENYL-1,3-OXAZOL-4(5H)-YLIDENE)METHYL]AMINO}BUTANOIC ACID
HET ID:   PHX PubChem:   67360018, 135431471
DrugBank:   DB08396 ChEMBL:   -
Canonical SMILES:   c1ccc(cc1)C2=NC(=CNCCCC(=O)O)C(=O)O2
Standard InChI:   InChI=1S/C14H14N2O4/c17-12(18)7-4-8-15-9-11-14(19)20-13(16-11)10-5-2-1-3-6-10/h1-3,5-6,9,15H,4,7-8H2,(H,17,18)/b11-9+
Molecular Formula:   C14H14N2O4 Mol. Weight:   274.27197 Heavy Atoms:   20
Charge:   0 Is Chiral:   False logP:   1.1123
HBD:   2 HBA:   6 TPSA:   87.99
#Bonds:   21 #Rotatable Bonds:   6 Shape Complexity:   0.21428572
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Ig heavy chain V region M603 P01789 (HVM20_MOUSE) Mus musculus 2CJU
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