BioLiP

PDB

BioLiP

PDB CCD ID:

JZI

Number of entries in BioLiP:

Chemical formula:

C22 H19 N O3

InChI:

InChI=1S/C22H19NO3/c24-21(19-14-13-17-10-4-5-11-18(17)15-19)23-20(22(25)26)12-6-9-16-7-2-1-3-8-16/h1-11,13-15,20H,12H2,(H,23,24)(H,25,26)/b9-6+/t20-/m1/s1

InChIKey:

OOTIJYFZZMIZHN-AQDCRGGLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1ccc(cc1)/C=C/C[C@H](C(=O)O)NC(=O)c2ccc3ccccc3c2
CACTVS 3.352	OC(=O)[C@@H](C/C=C/c1ccccc1)NC(=O)c2ccc3ccccc3c2
ACDLabs 11.02	O=C(O)C(NC(=O)c2ccc1c(cccc1)c2)C\C=C\c3ccccc3
OpenEye OEToolkits 1.7.0	c1ccc(cc1)C=CCC(C(=O)O)NC(=O)c2ccc3ccccc3c2
CACTVS 3.352	OC(=O)[CH](CC=Cc1ccccc1)NC(=O)c2ccc3ccccc3c2

Name:

(2R,4E)-2-[(naphthalen-2-ylcarbonyl)amino]-5-phenylpent-4-enoic acid

ChEMBL:

CHEMBL1090714

ZINC:

ZINC000044717227

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).