PBF

PARA-(BENZOYL)-PHENYLALANINE

Created:	2000-02-22
Last modified:	2024-09-27

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1 entries where PBF is found as a standalone ligand10 entries where PBF is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	1
Bond Count	36
Aromatic Bond Count	12

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Chemical Component Summary
Name	PARA-(BENZOYL)-PHENYLALANINE
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-3-[4-(phenylcarbonyl)phenyl]propanoic acid
Formula	C₁₆ H₁₅ N O₃
Molecular Weight	269.295
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)Cc1ccc(cc1)C(=O)c2ccccc2
SMILES	CACTVS	3.341	N[CH](Cc1ccc(cc1)C(=O)c2ccccc2)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)C(=O)c2ccc(cc2)CC(C(=O)O)N
Canonical SMILES	CACTVS	3.341	N[C@@H](Cc1ccc(cc1)C(=O)c2ccccc2)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)C(=O)c2ccc(cc2)C[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/t14-/m0/s1
InChIKey	InChI	1.03	TVIDEEHSOPHZBR-AWEZNQCLSA-N

Drug Info: DrugBank

DrugBank ID	DB08371
Name	p-Benzoyl-L-phenylalanine
Groups	experimental
Synonyms	4-Benzoyl-L-phenylalanine p-Benzoyl-L-phenylalanine Para-(benzoyl)-phenylalanine
Categories	Amino Acids Amino Acids, Aromatic Amino Acids, Cyclic Amino Acids, Peptides, and Proteins Benzene Derivatives Ketones
CAS number	104504-45-2

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Tyrosine-protein phosphatase non-receptor type 1	MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVS...	unknown
Tyrosine--tRNA ligase, cytoplasmic	MGDAPSPEEKLHLITRNLQEVLGEEKLKEILKERELKIYWGTATTGKPHV...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682