BioLiP

PDB

BioLiP

PDB CCD ID:

DBZ

Number of entries in BioLiP:

Chemical formula:

C10 H12 N2 O3

InChI:

InChI=1S/C10H12N2O3/c11-8(10(14)15)6-12-9(13)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,13)(H,14,15)/t8-/m0/s1

InChIKey:

BMHTVISVLHMFTC-QMMMGPOBSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(NCC(C(=O)O)N)c1ccccc1
CACTVS 3.341	N[CH](CNC(=O)c1ccccc1)C(O)=O
OpenEye OEToolkits 1.5.0	c1ccc(cc1)C(=O)NCC(C(=O)O)N
OpenEye OEToolkits 1.5.0	c1ccc(cc1)C(=O)NC[C@@H](C(=O)O)N
CACTVS 3.341	N[C@@H](CNC(=O)c1ccccc1)C(O)=O

Name:

3-(BENZOYLAMINO)-L-ALANINE

DrugBank:

DB03992

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).