BioLiP

PDB

BioLiP

PDB CCD ID:

C22

Number of entries in BioLiP:

Chemical formula:

C3 H6 Cl N O2

InChI:

InChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m0/s1

InChIKey:

ASBJGPTTYPEMLP-REOHCLBHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	C([C@@H](C(=O)O)N)Cl
CACTVS 3.370	N[C@@H](CCl)C(O)=O
ACDLabs 12.01	ClCC(N)C(=O)O
OpenEye OEToolkits 1.7.2	C(C(C(=O)O)N)Cl
CACTVS 3.370	N[CH](CCl)C(O)=O

Name:

3-chloro-L-alanine

ChEMBL:

CHEMBL51989

ZINC:

ZINC000001529480

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).