BioLiP

PDB

BioLiP

PDB CCD ID:

NHL

Number of entries in BioLiP:

Chemical formula:

C16 H17 N O4

InChI:

InChI=1S/C16H17NO4/c17-14(16(20)21)9-13(15(18)19)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13-14H,8-9,17H2,(H,18,19)(H,20,21)/t13-,14+/m0/s1

InChIKey:

YDWIUFASTTZKNI-UONOGXRCSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)C(N)CC(C(=O)O)Cc2ccc1c(cccc1)c2
CACTVS 3.341	N[CH](C[CH](Cc1ccc2ccccc2c1)C(O)=O)C(O)=O
CACTVS 3.341	N[C@H](C[C@H](Cc1ccc2ccccc2c1)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0	c1ccc2cc(ccc2c1)CC(CC(C(=O)O)N)C(=O)O
OpenEye OEToolkits 1.5.0	c1ccc2cc(ccc2c1)C[C@@H](C[C@H](C(=O)O)N)C(=O)O

Name:

(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID;
GAMMA-2-NAPHTHYLMETHYL-D-GLUTAMIC ACID

ChEMBL:

CHEMBL435982

DrugBank:

DB08272

ZINC:

ZINC000013491561

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).