BioLiP

PDB

BioLiP

PDB CCD ID:

ALA

Number of entries in BioLiP:

266

Chemical formula:

C3 H7 N O2

InChI:

InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1

InChIKey:

QNAYBMKLOCPYGJ-REOHCLBHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(C(=O)O)N
CACTVS 3.341	C[CH](N)C(O)=O
ACDLabs 10.04	O=C(O)C(N)C
CACTVS 3.341	C[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0	C[C@@H](C(=O)O)N

Name:

ALANINE

ChEMBL:

CHEMBL279597

DrugBank:

DB00160

ZINC:

ZINC000004658553

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).