BioLiP

PDB

BioLiP

PDB CCD ID:

DFF

Number of entries in BioLiP:

Chemical formula:

C16 H15 N O3

InChI:

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-/m1/s1

InChIKey:

TVIDEEHSOPHZBR-CQSZACIVSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)C(N)Cc1ccc(cc1)C(=O)c2ccccc2
OpenEye OEToolkits 1.7.6	c1ccc(cc1)C(=O)c2ccc(cc2)CC(C(=O)O)N
OpenEye OEToolkits 1.7.6	c1ccc(cc1)C(=O)c2ccc(cc2)C[C@H](C(=O)O)N
CACTVS 3.385	N[CH](Cc1ccc(cc1)C(=O)c2ccccc2)C(O)=O
CACTVS 3.385	N[C@H](Cc1ccc(cc1)C(=O)c2ccccc2)C(O)=O

Name:

4-benzoyl-D-phenylalanine

ZINC:

ZINC000002561081

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).