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BioLiP

PDB CCD ID: 2RA
Number of entries in BioLiP: 6
Chemical formula: C3 H8 N2 O2
InChI: InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/t2-/m1/s1
InChIKey: PECYZEOJVXMISF-UWTATZPHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC[C@@H](N)C(O)=O
CACTVS 3.385NC[CH](N)C(O)=O
OpenEye OEToolkits 1.7.6C([C@H](C(=O)O)N)N
ACDLabs 12.01O=C(O)C(N)CN
OpenEye OEToolkits 1.7.6C(C(C(=O)O)N)N
Name:3-amino-D-alanine;
diaminopropanoic acid
ChEMBL: CHEMBL420464
ZINC: ZINC000019363627
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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