Structure of PDB 1etz Chain L Binding Site BS01

Receptor Information
>1etz Chain L (length=215) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FAVVTQESALTTSPGETVTLTCRSSTGAVTTSNYAIWVQEKPDHLFSGLI
GGTNNRVPGVPARFSGSLIGDKAALTVTGAQTEDEAIYFCALWYSNHWVF
GGGTKLTVLGQPKSSPSVTLFTPSSEELETNKATLVCTITDFYPGVVTVD
WKVDGTPVTQGMETTQPSKQSNNKYMASSYLTLTARAWERHSSYSCQVTH
EGHTVEKSLSRAECS
Ligand information
Ligand IDGAS
InChIInChI=1S/C23H20N4O2/c24-15-17-11-13-20(14-12-17)26-23(25-16-21(28)29)27-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22H,16H2,(H,28,29)(H2,25,26,27)
InChIKeyKGHMYJFHUHFOGL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)C(c2ccccc2)NC(=NCC(=O)O)Nc3ccc(cc3)C#N
ACDLabs 10.04N#Cc3ccc(N/C(=N/CC(=O)O)NC(c1ccccc1)c2ccccc2)cc3
CACTVS 3.341OC(=O)CN=C(NC(c1ccccc1)c2ccccc2)Nc3ccc(cc3)C#N
FormulaC23 H20 N4 O2
NameN-(P-CYANOPHENYL)-N'-DIPHENYLMETHYL-GUANIDINE-ACETIC ACID
ChEMBLCHEMBL170077
DrugBankDB07816
ZINC
PDB chain1etz Chain H Residue 229 [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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PDB1etz The three-dimensional structure of a complex of a murine Fab (NC10. 14) with a potent sweetener (NC174): an illustration of structural diversity in antigen recognition by immunoglobulins.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		W93 W98
Binding residue
(residue number reindexed from 1)		W93 W98
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=7.24,Kd=58nM
Enzymatic activity
Enzyme Commision number ?
External links