BioLiP

PDB

BioLiP

PDB CCD ID:

88G

Number of entries in BioLiP:

Chemical formula:

C23 H22 N2 O2

InChI:

InChI=1S/C23H22N2O2/c1-17-10-8-9-15-20(17)24-23(27)21(16-18-11-4-2-5-12-18)25-22(26)19-13-6-3-7-14-19/h2-15,21H,16H2,1H3,(H,24,27)(H,25,26)/t21-/m1/s1

InChIKey:

BMOOQDWJJBWBKZ-OAQYLSRUSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	Cc1ccccc1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c3ccccc3
ACDLabs 12.01 OpenEye OEToolkits 2.0.6	Cc1ccccc1NC(=O)C(Cc2ccccc2)NC(=O)c3ccccc3
CACTVS 3.385	Cc1ccccc1NC(=O)[CH](Cc2ccccc2)NC(=O)c3ccccc3

Name:

Nalpha-(benzenecarbonyl)-N-(2-methylphenyl)-D-phenylalaninamide

ZINC:

ZINC000002852913

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).