BioLiP

PDB

BioLiP

PDB CCD ID:

GIA

Number of entries in BioLiP:

Chemical formula:

C20 H16 F N O3

InChI:

InChI=1S/C20H16FNO3/c21-17-7-3-4-13(10-17)11-18(20(24)25)22-19(23)16-9-8-14-5-1-2-6-15(14)12-16/h1-10,12,18H,11H2,(H,22,23)(H,24,25)/t18-/m1/s1

InChIKey:

JVSARVOIIXAOKH-GOSISDBHSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OC(=O)[CH](Cc1cccc(F)c1)NC(=O)c2ccc3ccccc3c2
CACTVS 3.341	OC(=O)[C@@H](Cc1cccc(F)c1)NC(=O)c2ccc3ccccc3c2
ACDLabs 10.04	Fc1cc(ccc1)CC(C(=O)O)NC(=O)c3cc2ccccc2cc3
OpenEye OEToolkits 1.5.0	c1ccc2cc(ccc2c1)C(=O)N[C@H](Cc3cccc(c3)F)C(=O)O
OpenEye OEToolkits 1.5.0	c1ccc2cc(ccc2c1)C(=O)NC(Cc3cccc(c3)F)C(=O)O

Name:

3-fluoro-N-(naphthalen-2-ylcarbonyl)-D-phenylalanine

ChEMBL:

CHEMBL1090719

ZINC:

ZINC000049068797

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).