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BioLiP Library

PDB CCD ID: ASM
Number of entries in BioLiP: 0
Chemical formula: C8 H10 N2 O3
InChI: InChI=1S/C8H10N2O3/c9-6(8(12)13)5-7(11)10-3-1-2-4-10/h1-4,6H,5,9H2,(H,12,13)/t6-/m0/s1
InChIKey: CYQJJKDVTYUIFU-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccn(c1)C(=O)CC(C(=O)O)N
CACTVS 3.341N[CH](CC(=O)n1cccc1)C(O)=O
OpenEye OEToolkits 1.5.0c1ccn(c1)C(=O)C[C@@H](C(=O)O)N
CACTVS 3.341N[C@@H](CC(=O)n1cccc1)C(O)=O
ACDLabs 10.04O=C(n1cccc1)CC(C(=O)O)N
Name:2-AMINO-4-OXO-4(1H-PYRROL-1-YL)BUTANOIC ACID
ZINC: ZINC000033821207
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)(download the PDF file).
  • 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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