Structure of PDB 1mex Chain H Binding Site BS01

Receptor Information
>1mex Chain H (length=211) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QVQLQQSDAELVKPGASVKISCKASGYTFTDHAIHWVKQKPGLEWIGYIS
PGNGDIKYNEKFKGKATLTADKSSSTAYMQLNSLTSEDSAVYFCKMEYLD
YWGQGTTLTVSSGGTTPPSVYPLAPGSAAQTNSVTLGCLVKGYFPEPVTV
TWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSQSVTCNVAHPAS
STAVDKKIAPA
Ligand information
Ligand IDRAC
InChIInChI=1S/C18H18N2O5/c1-20(2)16(21)14-5-3-4-6-15(14)19-18(24)25-11-12-7-9-13(10-8-12)17(22)23/h3-10H,11H2,1-2H3,(H,19,24)(H,22,23)
InChIKeyWBKIRHATIRDZAH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN(C)C(=O)c1ccccc1NC(=O)OCc2ccc(cc2)C(=O)O
CACTVS 3.341CN(C)C(=O)c1ccccc1NC(=O)OCc2ccc(cc2)C(O)=O
ACDLabs 10.04O=C(N(C)C)c1ccccc1NC(=O)OCc2ccc(cc2)C(=O)O
FormulaC18 H18 N2 O5
Name4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-BENZOIC ACID
ChEMBL
DrugBank
ZINCZINC000002047722
PDB chain1mex Chain H Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1mex Antibody Catalysis of a Bimolecular Cycloaddition Reaction
Resolution1.25 Å
Binding residue
(original residue number in PDB)		H35 K93 E95 Y96
Binding residue
(residue number reindexed from 1)		H35 K95 E97 Y98
Annotation score1
External links