BioLiP

PDB

BioLiP

PDB CCD ID:

SFK

Number of entries in BioLiP:

Chemical formula:

C15 H21 N O3

InChI:

InChI=1S/C15H21NO3/c1-11(2)8-9-14(17)16-13(15(18)19)10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,17)(H,18,19)/t13-/m0/s1

InChIKey:

SNFOUMUDOQSPKF-ZDUSSCGKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC(C)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O
CACTVS 3.370	CC(C)CCC(=O)N[C@@H](Cc1ccccc1)C(O)=O
ACDLabs 12.01	O=C(O)C(NC(=O)CCC(C)C)Cc1ccccc1
OpenEye OEToolkits 1.7.6	CC(C)CCC(=O)NC(Cc1ccccc1)C(=O)O
CACTVS 3.370	CC(C)CCC(=O)N[CH](Cc1ccccc1)C(O)=O

Name:

N-(4-methylpentanoyl)-L-phenylalanine

ChEMBL:

CHEMBL3086672

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).