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BioLiP

PDB CCD ID: LB6
Number of entries in BioLiP: 10
Chemical formula: C12 H11 Br N2 O3
InChI: InChI=1S/C12H11BrN2O3/c13-9-2-1-8-3-4-15(10(8)5-9)7-11(16)14-6-12(17)18/h1-5H,6-7H2,(H,14,16)(H,17,18)
InChIKey: CWLHYPMSORHOPU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)CNC(=O)Cn1ccc2ccc(Br)cc21
OpenEye OEToolkits 2.0.7c1cc(cc2c1ccn2CC(=O)NCC(=O)O)Br
CACTVS 3.385OC(=O)CNC(=O)Cn1ccc2ccc(Br)cc12
Name:N-[(6-bromo-1H-indol-1-yl)acetyl]glycine
ZINC: ZINC000020722384
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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