BioLiP

PDB

BioLiP

PDB CCD ID:

J54

Number of entries in BioLiP:

Chemical formula:

C11 H14 N2 O4

InChI:

InChI=1S/C11H14N2O4/c14-9(10(15)16)7-13-11(17)12-6-8-4-2-1-3-5-8/h1-5,9,14H,6-7H2,(H,15,16)(H2,12,13,17)/t9-/m1/s1

InChIKey:

KGFDIRSBGRVEFZ-SECBINFHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)CNC(=O)NC[C@H](C(=O)O)O
CACTVS 3.341	O[CH](CNC(=O)NCc1ccccc1)C(O)=O
CACTVS 3.341	O[C@H](CNC(=O)NCc1ccccc1)C(O)=O
ACDLabs 10.04	O=C(O)C(O)CNC(=O)NCc1ccccc1
OpenEye OEToolkits 1.5.0	c1ccc(cc1)CNC(=O)NCC(C(=O)O)O

Name:

(2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}-2-HYDROXYPROPANOIC ACID

DrugBank:

DB08007

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).